http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgi

Spectral Database forOrganic Compounds SDBS

SDBS Compounds and Spectral Search

Top of Form

Compound Name:

match partial

Molecular Formula:

C, H, then the other elements arealphabetical order, "%,*" for the wild card Molecular Weight:

to Numbers between left and right columnsUp to the first place of a decimal pointCAS Registry No.:

"%,*" for the wild card.

SDBS No.: "%,*" for the wild card.

Atoms:

C(Carbon) to

H(Hydrogen) to

N(Nitrogen) to

O(Oxygen) to

F(Fluorine) to

Cl(Chlorine) to

Br(Bromine) to

I(Iodine) to

S(Sulfur) to

P(Phosphorus) to

Si(Silicon) to

Numbers between left and right columns.

Spectrum: Check the spectra of your interest.

MS IR

13C NMR Raman

1H NMR ESRIR Peaks(cm-1): Allowance

± 10

"," or space is the separator for multiple peaks.Use "-", to set a range:. eg. 550-750,1650 3000-

Transmittance < 80

%13C NMR Shift(ppm): Allowance

± 2.0

"," is the separator for multiple shifts, eg. 129.3,18.4,...

No shift regions:Range defined by two numbers separated by a space, eg. 110 78,...1H NMR Shift(ppm): Allowance

± 0.2

No shift regions:MS Peaks and intensities:

Mass and its intensity are a set of dataseparated by a space, eg. 110 22,..

http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/direct_frame_top.cgihttp://www.aist.go.jp/index_en.html

Search

Hit: 20hit

Sort by: Molecular Weight

Ascending Order

(c) National Institute of Advanced Industrial Science and Technology (AIST)Bottom of Form

http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html

http://www.google.co.in/#hl=en&source=hp&biw=1600&bih=805&q=http%3A%2F%2Fwww.wfu.edu%2F~ylwong%2Fchem%2Fnmr%2Fh1%2Findex.html&btnG=Google+Search&aq=f&aqi=&aql=&oq=&gs_rfai=&fp=4a103f5075d93df6

1. 1H NMR - Intro - WFU During Chemistry 222 lab you will be using NMR extensively to help assign structures to ...Use the index on the left to choose which topic you want to go. ...

Integration - Splitting - Chemical Shift - Web Resources

www.wfu.edu/~ylwong/chem/nmr/h1/ - Cached - Similar

2. 1H NMR - Num of Diff Hydrogens - WFU Chem Tutor (N.M.R. Tutorial) http://www.upb.pitt.edu:89/index.htm. Program written by D.S.Soriano and students at U. Pittsburgh -Bradford and tested with ...www.wfu.edu/~ylwong/chem/nmr/h1/webresource.html - Cached - Similar

3. Wake Forest University Webserver Stats - WFU Slurp/3.0; http://help.yahoo.com/help/us/ysearch/slurp) 11166 482694622 188 .... 77http://www.wfu.edu/~ylwong/chem/nmr/h1/integration.html 767 7140083 320 .... 220 0 0 0 /index.php 218 166364 836 19 /finaid/css/wfu-win.css 217 19881564 ...www.wfu.edu/access.html - Cached - Similar

4. What is/ how do you calculate the chemical shift in an NMR ... 14 Oct 2009 ... HTM - se this as a guide to chemical shifts for protons in certain environments. http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html - Guide ...answers.yahoo.com › ... › Chemistry - Cached - Similar

5. organic chemistry help, 2010 Best of the Web NMR. http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html · http://organicchemistryreview.com/spectroscopy.html. Chemistry Experiments at Home ...www.aceorganicchem.com/resources.html - United States - Cached - Similar

http://www.google.co.in/search?hl=en&biw=1600&bih=805&q=related:www.aceorganicchem.com/resources.html+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&tbo=1&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CDEQHzAEhttp://webcache.googleusercontent.com/search?q=cache:JRKngv5t8IEJ:www.aceorganicchem.com/resources.html+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=5&hl=en&ct=clnk&gl=inhttp://www.aceorganicchem.com/resources.htmlhttp://www.google.co.in/search?hl=en&biw=1600&bih=805&q=related:answers.yahoo.com/question/index?qid=20091015094311AAjh73k+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&tbo=1&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CC0QHzADhttp://webcache.googleusercontent.com/search?q=cache:rNQrLFZaxaAJ:answers.yahoo.com/question/index?qid=20091015094311AAjh73k+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=4&hl=en&ct=clnk&gl=inhttp://www.google.co.in/url?url=http://answers.yahoo.com/dir/index?sid=396545227&link=list&rct=j&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CCoQ6QUoAQ&q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&usg=AFQjCNEBaX7Xa_EOgu-nU0aM5rMZC-1Fcghttp://answers.yahoo.com/question/index?qid=20091015094311AAjh73khttp://www.google.co.in/search?hl=en&biw=1600&bih=805&q=related:www.wfu.edu/access.html+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&tbo=1&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CCYQHzAChttp://webcache.googleusercontent.com/search?q=cache:OVJ6eBlZycQJ:www.wfu.edu/access.html+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=3&hl=en&ct=clnk&gl=inhttp://www.wfu.edu/access.htmlhttp://www.google.co.in/search?hl=en&biw=1600&bih=805&q=related:www.wfu.edu/~ylwong/chem/nmr/h1/webresource.html+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&tbo=1&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CCIQHzABhttp://webcache.googleusercontent.com/search?q=cache:xHCIl9Ahe_MJ:www.wfu.edu/~ylwong/chem/nmr/h1/webresource.html+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=2&hl=en&ct=clnk&gl=inhttp://www.google.co.in/url?sa=t&source=web&cd=2&ved=0CB8QFjAB&url=http://www.wfu.edu/~ylwong/chem/nmr/h1/webresource.html&ei=eQDETMDHBYelce-OpcwN&usg=AFQjCNH9b0ibCzq9wJxe5tvt9GPhCiw1twhttp://www.google.co.in/search?hl=en&biw=1600&bih=805&q=related:www.wfu.edu/~ylwong/chem/nmr/h1/+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&tbo=1&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CBkQHzAAhttp://webcache.googleusercontent.com/search?q=cache:Opa6lWEAjO4J:www.wfu.edu/~ylwong/chem/nmr/h1/+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=1&hl=en&ct=clnk&gl=inhttp://www.wfu.edu/~ylwong/chem/nmr/h1/webresource.htmlhttp://www.wfu.edu/~ylwong/chem/nmr/h1/chemshift.htmlhttp://www.wfu.edu/~ylwong/chem/nmr/h1/splitting.htmlhttp://www.wfu.edu/~ylwong/chem/nmr/h1/integration.htmlhttp://www.wfu.edu/~ylwong/chem/nmr/h1/http://www.wfu.edu/~ylwong/chem/nmr/h1/index.htmlhttp://www.aist.go.jp/

6. Printable Version - OChemTutor.com Nobel Prize in chemistry winners: http://almaz.com/nobel/chemistry/chemistry.html. Spectroscopy: http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html (one of ...ochemtutor.com/mainsite/index.php?module...user... - Cached

7. The best wesites for organic chemistry study( 页 1) - 化学 综合 - 新 ... - [ Translate this page ]

2009 年 9月 15日 ... http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html
...www.xinkexue.com/bbs/archiver/tid-2739.html - China - Cached

8. دانلود نرم افزار شیمی و کتاب شیمی - [ Translate this page ]

آگوست 12009 ... NMR. http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html · http://organicchemistryreview.com/spectroscopy.html. Chemistry Experiments at Home ...chemestan.blogfa.com/ - Cached - Similar

9. Web resources for spectroscopy: http://www.wfu.edu/~ylwong/chem/nmr/h1/ ... IR, MS, NMR wizards: http://www.chem.uni-potsdam.de/tools/index.html. UV-Vis spectroscopy ...home.uva.nl/r.m.williams/spectroscopy-tools.htm - Cached - Similar

10.Google Directory - Science > Chemistry > Nuclear Magnetic ... Proton NMR Tutorial - http://www.wfu.edu/~ylwong/nmr/ ... Tutorial About - http://uhavax.hartford.edu/chemistry/pdb/nmr/index.html. Basic NMR Theory ...www.google.com › ... › Theory - Cached - Similar

• EverythingMore

•Thiruchirapalli, Tamil NaduChange location

Search Options•

○The web○Pages from India More search tools

12345678910

Next

Top of Form

Search

http://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=10&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=10&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=90&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=90&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=80&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=70&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=60&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=50&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=40&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=30&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=20&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&ei=eQDETMDHBYelce-OpcwN&start=10&sa=Nhttp://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&sa=G&biw=1600&bih=805&tbo=1http://www.google.co.in/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&biw=1600&bih=805&source=lnt&tbs=ctr:countryIN&cr=countryIN&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CAcQpwUhttp://www.google.co.in/http://www.google.co.in/search?hl=en&biw=1600&bih=805&q=related:www.google.com/Top/Science/Chemistry/Nuclear_Magnetic_Resonance/Theory/Basic_NMR_and_MRI_Theory/+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&tbo=1&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CEkQHzAJhttp://webcache.googleusercontent.com/search?q=cache:pElUPxESkewJ:www.google.com/Top/Science/Chemistry/Nuclear_Magnetic_Resonance/Theory/Basic_NMR_and_MRI_Theory/+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=10&hl=en&ct=clnk&gl=inhttp://www.google.co.in/url?url=http://www.google.com/Top/Science/Chemistry/Nuclear_Magnetic_Resonance/Theory/&rct=j&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CEYQ6QUoAQ&q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&usg=AFQjCNFjlR6PC3-gHrBgFFXbda0FGkzUzwhttp://www.google.com/Top/Science/Chemistry/Nuclear_Magnetic_Resonance/Theory/Basic_NMR_and_MRI_Theory/http://www.google.co.in/search?hl=en&biw=1600&bih=805&q=related:home.uva.nl/r.m.williams/spectroscopy-tools.htm+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&tbo=1&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CEMQHzAIhttp://webcache.googleusercontent.com/search?q=cache:HlrpSDQjlo0J:home.uva.nl/r.m.williams/spectroscopy-tools.htm+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=9&hl=en&ct=clnk&gl=inhttp://home.uva.nl/r.m.williams/spectroscopy-tools.htmhttp://www.google.co.in/search?hl=en&biw=1600&bih=805&q=related:chemestan.blogfa.com/+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&tbo=1&sa=X&ei=eQDETMDHBYelce-OpcwN&ved=0CD0QHzAHhttp://webcache.googleusercontent.com/search?q=cache:58sbYg_gpJUJ:chemestan.blogfa.com/+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=8&hl=en&ct=clnk&gl=inhttp://translate.google.co.in/translate?hl=en&sl=fa&u=http://chemestan.blogfa.com/&ei=eQDETMDHBYelce-OpcwN&sa=X&oi=translate&ct=result&resnum=8&ved=0CD4Q7gEwBw&prev=/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&sa=G&biw=1600&bih=805http://chemestan.blogfa.com/http://webcache.googleusercontent.com/search?q=cache:zakZPVKQJUoJ:www.xinkexue.com/bbs/archiver/tid-2739.html+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=7&hl=en&ct=clnk&gl=inhttp://translate.google.co.in/translate?hl=en&sl=zh-CN&u=http://www.xinkexue.com/bbs/archiver/tid-2739.html&ei=eQDETMDHBYelce-OpcwN&sa=X&oi=translate&ct=result&resnum=7&ved=0CDgQ7gEwBg&prev=/search?q=http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&hl=en&sa=G&biw=1600&bih=805http://www.xinkexue.com/bbs/archiver/tid-2739.htmlhttp://webcache.googleusercontent.com/search?q=cache:wSPWhywlO8oJ:ochemtutor.com/mainsite/index.php?module=pagemaster&PAGE_user_op=view_printable&PAGE_id=10&lay_quiet=1+http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html&cd=6&hl=en&ct=clnk&gl=inhttp://ochemtutor.com/mainsite/index.php?module=pagemaster&PAGE_user_op=view_printable&PAGE_id=10&lay_quiet=1

Bottom of Form

http://www.wfu.edu/~ylwong/chem/nmr/h1/index.html

1H NMR Spectroscopy for CHM 222L Professor: S. Bruce King | Programming & Design: Yue-Ling Wong

Topics >>> NMR Intro

No. of Diff. Hydrogens

Integration

Chemical Shift

Splitting

Web Resources

Practice >>> Top of Form

Predict Spectrum I:

Bottom of FormTop of Form

Predict Spectrum II:

1H NMR Intrepretation TutorialProton Nuclear Magnetic Resonance (1H NMR) Spectroscopy is a powerful method used in the determination of the structure of unknown organic compounds.During Chemistry 222 lab you will be using NMR extensively to help assign structures to two unknown organic compounds and this tutorial and exercises will hopefully help you solve your unknown.To remind you of some things that you probably already know about the basic workings of an NMR and interpreting NMR spectra:The 1H NMR spectrum of an organic compound provides information concerning:

the # of different types of hydrogens present in the molecule the relative #'s of the different types of hydrogens the electronic environment of the different types of hydrogens the number of hydrogen "neighbor" a hydrogen has

Use the index on the left to choose which topic you want to go.If you feel pretty good about your knowledge of NMR, you should go directly to the exercises. If not, maybe you could visit the tutorial pages and take the included quizzes to help you remember.

http://www.wfu.edu/~ylwong/chem/nmr/h1/webresource.htmlhttp://www.wfu.edu/~ylwong/chem/nmr/h1/splitting.htmlhttp://www.wfu.edu/~ylwong/chem/nmr/h1/chemshift.htmlhttp://www.wfu.edu/~ylwong/chem/nmr/h1/integration.htmlhttp://www.wfu.edu/~ylwong/chem/nmr/h1/numdiffH.htmlhttp://www.wfu.edu/~ylwong/http://www.wfu.edu/~kingsb/http://www.wfu.edu/~ylwong/chem/nmr/h1/index.htmlhttp://www.wfu.edu/

Bottom of FormTop of Form

Peak Assignments:

Bottom of Formquick review

1H NMR Spectroscopy for CHM 222L Professor: S. Bruce King | Programming & Design: Yue-Ling Wong

SummaryNumber of Different HydrogensEvery chemically distinct hydrogen or group of hydrogens will give a resonance in the NMR spectra.IntegrationThe area under the NMR resonance is proportional to the number of hydrogens which that resonance represents. In this way, by measuring or integrating the different NMR resonances, information regarding the relative numbers of chemically distinct hydrogens can be found. Experimentally, the integrals will appear as a line over the NMR spectrum.Integration only gives information on the relative number of different hydrogens, not the absolute number.Chemical ShiftTypical chemical shifts in proton nmr spectra Structure chemical shift (ppm)

RCH3 0.8 - 1.2

R2CH2 1.1 - 1.5

R3CH ~1.5

ArCH3 2.2 - 2.5

R2NCH3 2.2 - 2.6

R2CHOR 3.2 - 4.3

http://www.wfu.edu/~ylwong/http://www.wfu.edu/~kingsb/file:///tmp/svjhi.tmp/javascript:MM_openBrWindow('summary.html','ylw','toolbar=yes,status=yes,menubar=yes,scrollbars=yes,resizable=yes,width=620,height=400')http://www.wfu.edu/

R2CHCl 3.5 - 3.7

RC(=O)CHR2 2.0 - 2.7

RCHCR=CR2 ~1.7

RC=CH 4.9 - 5.9

ArH 6.0 - 8.0

RC(=O)H 9.4 - 10.4

RCCH 2.3 - 2.9

R2NH 2 - 4

ROH 1 - 6

ArOH 6 - 8

RCO2H 10 - 12

SplittingNMR provides information on how many hydrogen neighbors exist for a particular hydrogen or group of equivalent hydrogens. In general, an NMR resonance will be split into N + 1 peaks where N = number of hydrogens on the adjacent atom or atoms.No. of H's on the adjacent atoms Splitting pattern

0 a single peak, a singlet

1 split into two peaks of equal size, a doublet

2 three peaks with an area in the ratio of 1:2:1, a triplet

3 four peaks with an area in the ratio of 1:3:3:1, a quartet

http://www.chem.ucla.edu/harding/orglinks.html

http://www.google.co.in/search?q=llnl+gov+msds+org+chem+Web+sters+Org+Chem&channel=linkdoctor

http://www.chemconnections.org/Websters/spectroscopy.html

Light & Spectroscopy 9/01

http://www.chemconnections.org/Websters/spectroscopy.htmlhttp://www.google.co.in/search?q=llnl+gov+msds+org+chem+Web+sters+Org+Chem&channel=linkdoctorhttp://www.google.co.in/search?q=llnl+gov+msds+org+chem+Web+sters+Org+Chem&channel=linkdoctorhttp://www.chem.ucla.edu/harding/orglinks.html

General * Spectroscopy * NMR * IR * Mass Spectrometry * UV/ Visible * Problems & Questions * Circular Dichroism &

ORD * Astronomical Spectroscopy

General:Encyclopedia: Optical Spectroscopy & Radiation http://members.tripod.com/~IgorIvanov/physics/spectroscopy.htmlChemDex Links http://www.chemdex.org/chemdex/spectroscopy.htmlLight and Optics Arizona State University http://acept.la.asu.edu/PiN/rdg/readings.shtmlDictionary of Photonics Photonics:Light and the Transmission of Information http://www.photonicsdictionary.com

Spectroscopy:Intoduction to Spectroscopy from Brian Tissue and the Chemistry Hypermedia Project http://www.chem.vt.edu/chem-ed/

Spectroscopy Index: http://www.chem.vt.edu/chem-ed/ac-basic.html

Spectroscopy from Professor Reusch's organic chemistry course at Michigan State University http://www.cem.msu.edu/~reusch/OrgPage/VirtualText/Spectrpy/spectro.htmSpectroscopy (The Wilson Group, University of California, San Diego) General Background and Theory from a Physical Chemistry perspective. Presentation style materials.Spectroscopic Techniques: A large informational collection on many spectroscopic applications from the University of Adelaide http://www.chemistry.adelaide.edu.au/external/Soc-Rel/Content/ac-meths.htm#spectroscopySpectroscopy Resources: A large collection of useful links from the Chemical Institute of Canada (CIC: Hamilton Section) http://www.netaccess.on.ca/~dbc/cic_hamilton/spect.htmlRaman Spectroscopy Explained http://www-personal.umich.edu/~jshaver/virtual/explain.html

Virtually Raman http://www-personal.umich.edu/~jshaver/virtual/schematic.html

http://www-personal.umich.edu/~jshaver/virtual/schematic.htmlhttp://www-personal.umich.edu/~jshaver/virtual/explain.htmlhttp://www.netaccess.on.ca/~dbc/cic_hamilton/spect.htmlhttp://www-wilson.ucsd.edu/education/pchem/spectroscopy/http://www.cem.msu.edu/~reusch/OrgPage/VirtualText/Spectrpy/spectro.htmhttp://www.chem.vt.edu/chem-ed/ac-basic.htmlhttp://www.chem.vt.edu/chem-ed/http://www.photonicsdictionary.com/http://acept.la.asu.edu/PiN/rdg/readings.shtmlhttp://www.chemdex.org/chemdex/spectroscopy.htmlhttp://members.tripod.com/~IgorIvanov/physics/spectroscopy.html

Spectral Data Base System for Organic Compounds SDBS: Integrated Spectral Data Base System for Organic Compounds, a searchable database that contains: MS (ca 18,000 spectra), 13C NMR (ca 9,700 spectra), Compound Dictionary, 1H NMR (ca 10,100 spectra, 29,000 compounds) with plans to add ESR, IR and Raman.

NMR:The Basics of NMR: Dr. Joseph Hornak http://www.cis.rit.edu/htbooks/nmr/nmr-main.htmIntroduction to NMR: Gregory Brust, University of Southern Mississippi http://www.psrc.usm.edu/macrog/nmr.htmIntroduction to NMR and its History: NMR Laboratory, University of Oulu, Finland http://www.student.oulu.fi/~pingman/nmrlabra/nmrlab.htmNMR Spectroscopy for the Student Six Lectures from Prof. Henry Rzepa, Imperial College, London Spectroscopy for the Organic Chemistry Student from Professor Paul R. Young: University of Illinois, Chicago Organic Chemistry OnLine:SpectroscopySection VIb: 1 H & 13 C NMR Problem Set1 H & 13 C NMR Problem Set

Proton Chemical Shift Table California State University, StanislausProton NMR Wizard from Steffan (St.) Thomas, University of Potsdam, Germany. A query based nmr tool in English and German. Useful in self-learning-testing applications. Supply a chemical shift value and a table of possibilities is produced with ranges of chemical shifts. Pages are cleanly designed and the built-in search engine works well.13 C Chemical Shift Calculator University of Potsdam, Germany, Produces 13C spectra for phenyls, biphenyls, pyridines and pyridazines http://www.chem.uni-potsdam.de/calcnmr.htmlWebSpectra: NMR and IR Problems, Prof. Craig Merlic UCLA http://www.chem.ucla.edu/~webspectra/Introduction to Nuclear Magnetic Resonance (The Wilson Group, University of California, San Diego) A collection of JPEG files and

http://www-wilson.ucsd.edu/education/pchem/spectroscopy/nmr.htmlhttp://www.chem.ucla.edu/~webspectra/http://www.chem.ucla.edu/~webspectra/http://www.chem.uni-potsdam.de/tools/index.htmlhttp://www.chem.uni-potsdam.de/tools/index.htmlhttp://wwwchem.csustan.edu/Tutorials/NMRTABLE.HTMhttp://chipo.chem.uic.edu/web1/ocol/spec/NMR.htmhttp://www.chem.uic.edu/web1/OCOL-II/WIN/SPEC/HNMR/FRAMES.HTMhttp://chipo.chem.uic.edu/web1/ocol/spec/NMR1.htmhttp://www.chem.uic.edu/web1/OCOL-II/WIN/HOME.HTMhttp://www.ch.ic.ac.uk/local/organic/nmr.htmlhttp://www.student.oulu.fi/~pingman/nmrlabra/nmrintro.htmhttp://www.psrc.usm.edu/macrog/nmr.htmhttp://www.cis.rit.edu/htbooks/nmr/nmr-main.htmhttp://www.aist.go.jp/RIODB/SDBS/menu-e.html

animations that can be used as lecture tools which highlight the applications and theoretical foundations of NMR. Can adapt files to color transparencies.Analyses of 2D NOESY Proton NMR Spectra 3D Structure of DNA: Henry Rzepa, Imperial College, London and Interleukin-8: M. Hargreaves, Glaxo.BioMagResBank NMR Macromolecule database: proteins, peptides and nucleic acids: University of Wisconsin.The FT NMR Free Induction Decay Archive An archive of 1H and 13C NMR spectra in FID form, ready for processing by two common off-line NMR software programs (NUTS and Felix): Prof. Craig Fryhle, Pacific Lutheran University.ACD/SpecViewer 4.0 Freeware http://www.acdlabs.com/download/specview.html A new program for viewing and representing processed spectra of different types (NMR, MS, UV, visible, IR, NIR and Raman spectra) through one interface. Requires Chem Sketch. Also available: commercial software that can simulate NMR spectra of molecules that you draw. One program for 1H and another for 13C. Currently windows version only. Free viewer available. Can download demos and viewer over the internet.http://www.cherwell.com Commercial "gnmr" software simulates NMR spectra of any spin nuclei using the same program. Can input structures from ISIS Draw, ChemWindows or ChemIntosh. Windows and Mac versions available. The program currently does not integrate areas under signals. Downloadable demo available.

IR: Spectroscopy for the Organic Chemistry Student from Professor Paul R. Young: University of Illinois, Chicago Organic Chemistry OnLine:SpectroscopySection VIa: Infrared SpectroscopyProblem SetInfrared Spectroscopy Problem Set

Introduction to IR: UCLA http://www.chem.ucla.edu/~webspectra/irintro.html

WebSpectra: NMR and IR Problems, Prof. Craig Merlic UCLA http://www.chem.ucla.edu/~webspectra/

http://www.chem.ucla.edu/~webspectra/http://www.chem.ucla.edu/~webspectra/http://www.chem.ucla.edu/~webspectra/irintro.htmlhttp://chipo.chem.uic.edu/web1/ocol/spec/IR.htmhttp://chipo.chem.uic.edu/web1/ocol/spec/IR1.htmhttp://www.chem.uic.edu/web1/OCOL-II/WIN/HOME.HTMhttp://www.cherwell.com/http://www.acdlabs.com/http://www.acdlabs.com/download/specview.htmlhttp://rainier.chem.plu.edu/fid_archive.htmlhttp://www.bmrb.wisc.edu/http://www.ch.ic.ac.uk/GIC/dna/.index.html

IR Problems: A small set from Whitworth College http://www.whitworth.edu/academic/department/chemistry/classes/chem/ch278/problems/irprobs.htmInfrared Basic Tutorial with practice problems California State University, Stanislaus

Animated Infra-Red Spectroscopy (AIRS) Interactive collection of spectra accompanied by animations of corresponding molecular vibrations. Developed by: Justin Ellsworth, Bryan Stramecki and Abby Parrill, Michigan State UniversityIR-Tutor: A highly engaging, interactive tutorial program which provides a complete background of the theory and practice of IR used for structural analysis. http://www.columbia.edu/cu/chemistry/edison/IRTutor.html

$29.95 from John Wiley http://www.wiley.com/Corporate/Website/Objects/Products/0,9049,16879,00.html

FTIR Spectra tied to Chime and ChemDraw with molecular motion examples. Similar in idea to IR-Tutor http://wwwchem.uwimona.edu.jm:1104/spectra/IRIndex.htmlTeleSpec: IR Spectral Simulator http://www2.chemie.uni-erlangen.de/services/telespec/irYdium Project's IR simulator Carnegie Mellon; Java Applet http://ir.chem.cmu.edu/irproject/applets/spectro/Applet.asp

Background http://ir.chem.cmu.edu/irproject/applets/spectro/

IR Wizard from Steffan (St.) Thomas, University of Potsdam, Germany. A query based tool in English and German. Useful in self-learning-testing applications. Supply a wave number (cm-1) and a table of possibilities is produced with chemical functions that have the value within their range of peak frequencies. Pages are cleanly designed and the built-in search engine works well. NIST Chemistry Webbook http://webbook.nist.gov/chemistry Free government database that includes numerous compounds. Provides a variety of data: physical, thermodynamic and spectroscopic. IR and MS spectra available for a portion of the compounds in the data base. An excellent resource.

http://webbook.nist.gov/chemistryhttp://www.chem.uni-potsdam.de/tools/index.htmlhttp://ir.chem.cmu.edu/irproject/applets/spectro/http://ir.chem.cmu.edu/irproject/applets/spectro/Applet.asphttp://www2.chemie.uni-erlangen.de/services/telespec/http://wwwchem.uwimona.edu.jm:1104/spectra/IRIndex.htmlhttp://www.wiley.com/Corporate/Website/Objects/Products/0,9049,16879,00.htmlhttp://www.wiley.com/Corporate/Website/Objects/Products/0,9049,16879,00.htmlhttp://www.columbia.edu/cu/chemistry/edison/IRTutor.htmlhttp://www.cem.msu.edu/~parrill/AIRS/http://wwwchem.csustan.edu/Tutorials/INFRARED.HTMhttp://www.whitworth.edu/academic/department/chemistry/classes/chem/ch278/problems/irprobs.htm

Calculate IR/Raman Spectra using Smiles strings: http://zabib.chemie.uni-erlangen.de/services/vrmlvib/index.html

Mass Spectrometry:Mass Spectrometer Animated Tutorial Dr. Thomas Poon, Colby Collegemass spectrometer Shockwave Interactive Tutorial: Instrument Function, Data Generation, Intrepretation and More. (127 kB) Spectroscopy for the Organic Chemistry Student from Professor Paul R. Young: University of Illinois, Chicago Organic Chemistry OnLine:SpectroscopySection VIc: Mass SpectroscopyProblem SetMass Spectroscopy Problem Set

Mass Spectrometry Tutorial California State University, StanislausMS Fragment Wizard from Steffan (St.) Thomas, University of Potsdam, Germany. A query based tool in English and German. Useful in self-learning-testing applications. Supply m/e value and a list of possibilities for the fragment or mass loss fragment is produced with links to exact mass and isotope distribution calculators. Pages are cleanly designed and the built-in search engine works well.

Spectral Data Base System for Organic Compounds SDBS: Integrated Spectral Data Base System for Organic Compounds, a searchable database that contains: MS (ca 18,000 spectra), 13C NMR (ca 9,700 spectra), Compound Dictionary, 1H NMR (ca 10,100 spectra, 29,000 compounds) with plans to add ESR, IR and Raman. GC/MS for Chromatographers University of Akron GS/MS: A short course for chromatographers familiar with GC.

NIST Chemistry Webbook http://webbook.nist.gov/chemistry Free government database that includes numerous compounds. Provides a variety of data: physical, thermodynamic and spectroscopic. IR and MS spectra available for a portion of the compounds in the data base. An excellent resource.

UV/Visible:

http://webbook.nist.gov/chemistryhttp://ull.chemistry.uakron.edu/gcms/http://www.aist.go.jp/RIODB/SDBS/menu-e.htmlhttp://www.chem.uni-potsdam.de/tools/index.htmlhttp://wwwchem.csustan.edu/Tutorials/ETHYLBEN.HTMhttp://chipo.chem.uic.edu/web1/ocol/spec/MS.htmhttp://chipo.chem.uic.edu/web1/ocol/spec/MS1.htmhttp://www.chem.uic.edu/web1/OCOL-II/WIN/HOME.HTMhttp://www.colby.edu/chemistry/OChem/DEMOS/MassSpec.htmlhttp://zabib.chemie.uni-erlangen.de/services/vrmlvib/index.html

Background and Instrument Guide from Brian Tissue and the Chemistry Hypermedia Project http://www.chem.vt.edu/chem-ed/spec/uv-vis/uv-vis.htmlTheoretical Principles with quiz from Sheffield Hallam University http://www.shu.ac.uk/schools/sci/chem/tutorials/molspec/uvvisab1.htmOutline and problems: Neil Glagovich, Central Connecticut State University http://www.chemistry.ccsu.edu/glagovich/teaching/472/uvvis/uvvis.htmlDetermine and unknown gas from its emission spectrum: Interactive Shockwave comparative activity from the Kansa State University http://phys.educ.ksu.edu/vqm/html/emission.html

Questions & Problems:

CombinedSpectroscopy Problems On-Line: Sixty four problems ( Containing IR, 1H and 13C NMR and MS, rated Easy, Moderate and Difficult; Answers available to Instructors.) From: Professor Smith's Group, University of Notre Dame.

WebSpectra: Seventy two NMR and IR Problems, Prof. Craig Merlic UCLA http://www.chem.ucla.edu/~webspectra/

Spectroscopy for the Organic Chemistry Student from Professor Paul R. Young: University of Illinois, Chicago Organic Chemistry OnLine:

Multiple Choice Quiz: Spectroscopy

Thirteen NMR Problems from the University of Sydney http://assign2.chem.usyd.edu.au/thirdyear/organic/field/nmr/index.htm

Circular Dichroism Spectroscopy & Optical Rotatory Dispersion: (CD & ORD)Overview and Tutorial: Bernhard Rupp, Lawrence Livermore National Laboratory, X-ray Facility http://www-structure.llnl.gov/cd/cdtutorial.htmCircular Dichroism http://broccoli.mfn.ki.se/pps_course_96/ss_960723_21.html

Astronomical Spectroscopy:

http://broccoli.mfn.ki.se/pps_course_96/ss_960723_21.htmlhttp://www-structure.llnl.gov/cd/cdtutorial.htmhttp://assign2.chem.usyd.edu.au/thirdyear/organic/field/nmr/index.htmhttp://chipo.chem.uic.edu/web1/ocol/Q3/Q3fh.htmhttp://www.chem.ucla.edu/~webspectra/http://www.nd.edu/~smithgrp/structure/workbook.htmlhttp://phys.educ.ksu.edu/vqm/html/emission.htmlhttp://www.chemistry.ccsu.edu/glagovich/teaching/472/uvvis/uvvis.htmlhttp://www.shu.ac.uk/schools/sci/chem/tutorials/molspec/uvvisab1.htmhttp://www.chem.vt.edu/chem-ed/spec/uv-vis/uv-vis.html

Light, the sky and galaxies http://csep10.phys.utk.edu/guidry/violence/spectroscopy.htmlSpectroscopy in Astronomy University of Arizona http://loke.as.arizona.edu/~ckulesa/camp/spectroscopy_examples.htmlAstronomy Tutorial UCLA http://www.astro.ucla.edu/~wright/fluxplot.htmlTutorial on Infrared Cal Tech http://www.ipac.caltech.edu/Outreach/Edu/Spectra/spec.htmlLearning from Light http://fuse.pha.jhu.edu/~wpb/spectroscopy/spec_home.htmlVirtual Spectroscope http://mo-www.harvard.edu/Java/MiniSpectroscopy.html

http://mo-www.harvard.edu/Java/MiniSpectroscopy.htmlhttp://fuse.pha.jhu.edu/~wpb/spectroscopy/spec_home.htmlhttp://www.ipac.caltech.edu/Outreach/Edu/Spectra/spec.htmlhttp://www.astro.ucla.edu/~wright/fluxplot.htmlhttp://loke.as.arizona.edu/~ckulesa/camp/spectroscopy_examples.htmlhttp://csep10.phys.utk.edu/guidry/violence/spectroscopy.html

http://www.chem.ucla.edu/harding/orglinks.html

Links to Other Organic Sites• VOH Archives at UCLA Old exams, class handouts, etc. A

useful source of practice exams.• A Great List of Organic Chemistry Links for Students • Virtual Textbook of Organic Chemistry (an excellent on-line

organic chemistry textbook; by Bill Reusch at Michigan State University)

• Tutorials, problems sets and quizzes (link list courtesy of Dyann K. Schmidel, Ph.D.)

Thermodynamics and Kinetics Fundamentals of Thermodynamics and Kinetics (Chemistry Virtual Classroom, Berkeley)

Chemical Structure Drawing Software:

• ChemDraw (used by Dr. H. to prepare exams, handouts, graphics for web pages, etc.)

• Chemistry 4-D Draw • Free Chemistry Drawing Software (ACD Labs)

Spectroscopy Tools:

• SDBS : a searchable database of about 30,000 compounds with a variety of spectra: mass, 1H-NMR, 13C-NMR, and IR

• Spectroscopic Tools at the University of Potsdam:○ chemical shift tables (1H, 11B, 13C, 15N, 17O, 19F, 31P)○ 1H Wizard: input ppm, get assignment○ IR Wizard: input cm-1, get assignment○ MS Wizard: input mass, get fragment structures○ 13C Database: input ppm, get molecules that have this

peak in their spectrum• Infrared Spectroscopy for Organic Chemists Web Resources

Spectroscopy Tutorials:

http://www.dq.fct.unl.pt/qoa/jas/ir.htmlhttp://www.chem.uni-potsdam.de/englisch/index.htmlhttp://www.aist.go.jp/RIODB/SDBS/menu-e.htmlhttp://www.acdlabs.com/http://www.cheminnovation.com/http://www.camsoft.com/http://www.cchem.berkeley.edu/~chem130a/sauer/outline.htmlhttp://biochemlinks.com/http://www.cem.msu.edu/~reusch/OrgPage/VirtualText/intro1.htmhttp://ep.llnl.gov/msds/orgchem/Web-sters_Org_Chem.htmlhttp://voh.chem.ucla.edu/xenon-voh/docs/oldvoh.htmlhttp://www.chem.ucla.edu/harding/orglinks.html

• NMR Spectroscopy. Principles and Application . Professor Hernry Rzepa, Imperial College

• Introduction to NMR Spectroscopy : The University of the West Indies, Mona Campus, Jamaica

• Nuclear Magnetic Resonance : basic tutorial• Mass Spectrometry : basic tutorial• Infrared Spectroscopy : basic tutorial• NMR and MRI : Chester F. Carlson Center for Imaging Science,

Rochester Institute of TechnologyOrganic Reaction Mechanisms:

• Basic Reactions is Organic Chemistry - Interactive Requires VRML. This site contains some errors.

• Organic Chemistry Movies Home Page Prof. Brent Iverson, U. Texas, Austin. Slow to load, so be patient.

Substitution and Elimination Reactions:

• Notes on SN2/SN1/E2/E1 Reactions (Dafni Amirsakis; UCLA Chem 10D TA) Page 1 Page 2 Page 3 Page 4

Organic Flash Cards:

• Electronic Organic Chemistry Flashcards Profs. Christopher Hadad and Todd Lowary, Ohio State. More flash cards.

Polymers:

• The Macrogalleria "A cyberworld of fun." All about polymer chemistry

Stereochemistry and Molecular Models:

• Molecular Models and Chirality (Daniel Berger, Bluffton College. A nice tutorial on stereochemistry and use of molecular models. Uses the Chime plug-in, as well as hand-held models.)

• Isomers of Organic Compounds, An Introduction (Frank Gorga, Bridgewater State College) A primer on organic steroechemistry, using the Chime plug-in

Organosulfur Chemistry

• Skunk Defensive Secretion (William Wood, Humbolt State) History and chemistry of skunk musk (Does not require Virtual Stink plug-in)

http://www.humboldt.edu/~wfw2/skunkspray.shtmlhttp://topcat.bridgew.edu/~fgorga/Stereochem/INTRO.HTMhttp://www.bluffton.edu/~bergerd/Models/home.htmlhttp://www.psrc.usm.edu/macroghttp://www.chemistry.ohio-state.edu/organic/flashcardshttp://web.chem.ucla.edu/~harding/Dafni_4.GIFhttp://web.chem.ucla.edu/~harding/Dafni_3.GIFhttp://web.chem.ucla.edu/~harding/Dafni_2.GIFhttp://web.chem.ucla.edu/~harding/Dafni_1.GIFhttp://huckel.cm.utexas.edu/groups/iverson/main.htmhttp://ourworld.compuserve.com/homepages/rehrlerhttp://www.cis.rit.edu/class/schp730/lectures.htmhttp://www.users.globalnet.co.uk/~freya01/index.htmhttp://www.users.globalnet.co.uk/~freya01/index.htmhttp://www.users.globalnet.co.uk/~freya01/index.htmhttp://wwwchem.uwimona.edu.jm:1104/spectra/nmrintro.htmlhttp://www.ch.ic.ac.uk/local/organic/nmr.html

Pharmaceutical and Medicinal Chemistry

• Pharmaceuticals, Their Discovery, Regulation, and Manufacture An on-line course

Other Sites of Organic Interest:

• Taking a Closer Look at Molecular Modeling . A comprehensive page on concepts in molecular structure related to molecular modeling, with in-depth/informative links. Useful for a general understanding of phenomena that are related to general molecular structure.

• Organic Chemistry Resources Worldwide • Intensive Organic Chemistry for Freshmen (N. J. Turro;

Columbia)• Organic Chemistry On Line (Paul Young)• General, Organic, and Biochemistry (James K. Hardy and West

Publishing Company)• Organic 1 (Ralph Logan)• Chemistry 242 (A. L. Parrill and J. Gervay, Univeristy of Arizona)• Organic at the Virtual University (James A. Plambeck, Virtual

University North)• Chemistry Student's Helper • Organic Chemistry Student Resource Page (Colby College)• The Chemistry Hypermedia Project (Virginia Tech) Tutorials

and other cool stuff.• Global Instruction Chemistry (Imperial College, London) Links

to all sorts of chemistry stuff around the world.• Chemistry Index (Freie Universitaet, Berlin) More chemistry

links around the world; German and English.• World Lecture Hall (University of Texas, Austin) Collection of

chemistry links from around the world• Molecular Playground (Cabrillo University) Molecular modeling,

molecules in the news, molecules to explore.• Chem242 Organic lecture notes from Down Under.• Molecules from Chemistry (Okanagan University, British

Columbia) More molecules to explore.

http://www.sci.ouc.bc.ca/chem/molecule/molecule.htmlhttp://www.sci.qut.edu.au/chem/chb242/powerpnt.htmhttp://c4.cabrillo.cc.ca.us/http://www.utexas.edu/world/lecture/ch/http://www.chemie.fu-berlin.de/chemistry/http://www.ch.ic.ac.uk/GIC/http://www.chem.vt.edu/chem-ed/vt-chem-ed.htmlhttp://www.colby.edu/chemistry/OChem/OChemHome.HTMLhttp://www.gc.cc.va.us/~gcsteid/chem/chemhelp.htmhttp://chem.ualberta.ca/~plambeck/che/p265/vn265.htmhttp://www.chem.arizona.edu/courses/chem242http://edie.cprost.sfu.ca/~rhlogan/organic1.htmlhttp://ull.chemistry.uakron.edu/genobc/index.htmlhttp://homework.chem.uic.edu/NEXT.HTMhttp://128.59.113.173/wwwnjt/Links/Main.htmlhttp://131.96.145.20/post_docs/koen/worgche.htmlhttp://www.medicalbillingandcoding.org/resources/molecular.htmlhttp://wey238ab.ch.iup.edu/olcciii/signintro.htmhttp://wey238ab.ch.iup.edu/olcciii/signintro.htm

• A Brief Tutorial on Drawing Lewis Dot Structures . Inspired by Chemistry 2 students.

• Organic Reaction Quizzes and Summaries Prof. Linda Sweeting, Towson University. A nice collection of organic reactions summaries and quizzes.

• CH 271 - Organic Chemisty I Prof. Tony Mega, Whitworth College. Organic reactions with quizzes, and lecture notes.

• CHEM 331 Handouts Prof. Lev Ryzhkov, Towson University. Lots of good stuff on SN2/SN1/E2/E1, and other organic topics as well.

• Organic Chemistry Electronic Resource Page Prof. Thomas Poon, Randolf-Macon College. All sorts of good stuff...like a meaty stew of organic chemistry.

• Hydrogen Bonding A nice discussion of hydrogen bonding.• CHEMystery A quick review of some basic general and organic

chemistry topics such as electrochemistry and functional groups.

Find anything else that should be on this list or having problems with these links? E-mail me !Link to:

• General Chemistry Links • Chemistry Software Links • Lab Safety Links • Student Favorites and Other Cool Links • Return to Hardinger Home Page

http://web.chem.ucla.edu/~harding/index.htmlhttp://web.chem.ucla.edu/~harding/studfavlinks.htmlhttp://web.chem.ucla.edu/~harding/safetylinks.htmlhttp://web.chem.ucla.edu/~harding/softwarelinks.htmlhttp://web.chem.ucla.edu/~harding/genchemlinks.htmlmailto:harding@chem.ucla.eduhttp://library.thinkquest.org/3659http://physnt1.tamu.edu/ch02.web/2.2%20Hydrogen%20Bonding.htmlhttp://www.rmc.edu/academic/departments/chem/ochem.dir/MAIN.htmlhttp://saber.towson.edu/~ryzhkov/handouts/hand.htmlhttp://www.whitworth.edu/Academic/Department/Chemistry/Classes/Chem/CH271/CH271.htmhttp://saber.towson.edu/~sweeting/orgrxs/reactsum.htmhttp://web.chem.ucla.edu/~harding/lewisdots.html

http://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/spectro.htm

Introduction to SpectroscopyIn previous sections of this text the structural formulas of hundreds of organic compounds have been reported, often with very little supporting evidence. These structures, and millions of others described in the scientific literature, are in fact based upon sound experimental evidence, which was omitted at the time in order to focus on other aspects of the subject. Much of the most compelling evidence for structure comes from spectroscopic experiments, as will be demonstrated in the following topics.The Light of Knowledge is an often used phrase, but it is particularly appropriate in reference to spectroscopy. Most of what we know about the structure of atoms and molecules comes from studying their interaction with light (electromagnetic radiation). Different regions of the electromagnetic spectrum provide different kinds of information as a result of such interactions. Realizing that light may be considered to have both wave-like and particle-like characteristics, it is useful to consider that a given frequency or wavelength of light is associated with a "light quanta" of energy we now call a photon. As noted in the following equations, frequency and energy change proportionally, but wavelength has an inverse relationship to these quantities.

In order to "see" a molecule, we must use light having a wavelength smaller than the molecule itself (roughly 1 to 15 angstrom units). Such radiation is found in the X-ray region of the spectrum, and the field of X-ray crystallography yields remarkably detailed pictures of molecular structures amenable to examination. The chief limiting factor here is the need for high quality crystals of the compound being studied. The methods of X-ray crystallography are too complex to be described here; nevertheless, as automatic instrumentation and data handling techniques improve, it will undoubtedly prove to be the procedure of choice for structure determination. The spectroscopic techniques described below do not provide a three-dimensional picture of a molecule, but instead yield information about certain characteristic features. A brief summary of this information follows:

• Mass Spectrometry: Sample molecules are ionized by high energy electrons. The mass to charge ratio of these ions is measured very accurately by electrostatic acceleration and magnetic field perturbation, providing a precise molecular weight. Ion fragmentation patterns may be related to the structure of the molecular ion.• Ultraviolet-Visible Spectroscopy: Absorption of this relatively high-energy light causes electronic excitation. The easily accessible part of this region (wavelengths of 200 to 800 nm) shows absorption only if conjugated pi-electron systems are present.

http://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/spectro.htm

• Infrared Spectroscopy: Absorption of this lower energy radiation causes vibrational and rotational excitation of groups of atoms. within the molecule. Because of their characteristic absorptions identification of functional groups is easily accomplished.• Nuclear Magnetic Resonance Spectroscopy: Absorption in the low-energy radio-frequency part of the spectrum causes excitation of nuclear spin states. NMR spectrometers are tuned to certain nuclei (e.g. 1H, 13C, 19F & 31P). For a given type of nucleus, high-resolution spectroscopy distinguishes and counts atoms in different locations in the molecule.

Table of Contents

Mass Spectrometry

The Mass SpectrometerCharacteristics of Mass SpectraIsotopesFragmentation PatternsHigh Resolution Spectra

Ultraviolet-Visible Spectroscopy

BackgroundThe Electromagnetic SpectrumUV-Visible Absorption SpectraThe Importance of Conjugation

Infrared Spectroscopy

IntroductionVibrational SpectroscopyGroup Frequencies

Nuclear Magnetic Resonance Spectroscopy (NMR)

IntroductionProton NMR Spectroscopy

The Chemical Shift

http://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/nmr/nmr1.htmhttp://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/InfraRed/infrared.htmhttp://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/UV-Vis/spectrum.htmhttp://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/MassSpec/masspec1.htm

Signal StrengthSpin-Spin Splitting

Carbon NMR Spectroscopy

At various points throughout this text, links to supplementary information or special topics will be located in shaded boxes of this kind.

Spectroscopy Resources

Introduction to Mass Spectrometry

Prepared at Vanderbilt University. A much more advanced treatment than provided in this text.

Ionization Methods in Mass Spectrometry

Prepared by JEOL. A more thorough discussion of ionization than provided in this text.

NMR Tutorial and Spectroscopy Problems

Prepared at Imperial College. A more advanced tutorial than that provided in this text. The associated problems all involve nmr spectroscopy, but also use data from infrared and mass spectrometry.

NMR Spectroscopy-A Virtual Text Prepared by Joseph Hornak, Rochester Institute of Technology. An exceptional introduction to modern nmr spectroscopy. More advanced than this text.

NMRShiftDB-an NMR database. This database of organic structures and their nuclear magnetic resonance (nmr) spectra is hosted by the Max Planck Institute of Chemical Ecology in Jena.

http://nmrshiftdb.ice.mpg.de/portal/pane0/Results;jsessionid=gab6mvoj61.tomcat2?nmrshiftdbaction=showDetailsFromHome&molNumber=20100720http://www.cis.rit.edu/htbooks/nmr/http://www.ch.ic.ac.uk/local/nmr/http://www.ch.ic.ac.uk/local/nmr/http://www.jeol.com/ms/docs/ionize.htmlhttp://www.jeol.com/ms/docs/ionize.htmlhttp://ms.mc.vanderbilt.edu/tutorials/ms/ms.htmhttp://ms.mc.vanderbilt.edu/tutorials/ms/ms.htm

NMR meets Musicians A clever and informative site from the University of Erlangen-Nuremberg, Institute of Organic Chemistry

Spectroscopy Tools A useful site providing information for NMR, IR and mass spectroscopy. Created at the University of Potsdam.

More Spectroscopy Tools A nice collection of applications for interpreting NMR, IR and mass spectra. Created at Colby College.

Spectra Data Base A large and very useful collection of MS, NMR, IR, Raman & ESR spectra. This page is hosted by SDBS, Japan.

Spectroscopy Problems

64 Graded Problems Compiled at Notre Dame. A very nice collection of problems using all the spectroscopy methods discussed here.

72 Graded Problems Compiled at UCLA. An outstanding collection of unknowns requiring the interpretation of nmr spectra & some ir. Solutions are provided. A general discussion of nmr and its uses is given. Some advanced techniques not discussed in this text are used.

NMR Spectroscopy Problems Compiled at the University of Sydney. Thirteen problems and discussion answers are presented.

More NMR Spectroscopy Problems

This Frankland & Marshall College site also has an

http://wulfenite.fandm.edu/NMRspectroscopy/NMRspechmpg.htmlhttp://wulfenite.fandm.edu/NMRspectroscopy/NMRspechmpg.htmlhttp://assign2.chem.usyd.edu.au/thirdyear/organic/field/nmr/index.htmhttp://www.chem.ucla.edu/~webspectra/http://www.nd.edu/~smithgrp/structure/workbook.htmlhttp://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=enghttp://www.colby.edu/chemistry/NMR/NMR.htmlhttp://www.chem.uni-potsdam.de/tools/index.htmlhttp://www.chemie.uni-erlangen.de/oc/research/NMR/music.html

excellent list of nmr references

Infrared Spectroscopy Problems Prepared at Colby College. This is the Netscape version.

These pages are the property of William Reusch.©1999 William Reusch, All rights reserved(most recent revision 8/10/2007)Comments, questions and errors should be sent to whreusch@msu.edu.

Return to Table of Contents

http://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/intro1.htmhttp://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/intro1.htmmailto:whreusch@msu.eduhttp://www.colby.edu/chemistry/JCAMP/IRHelperNS.html

1. 1H NMR - Intro - WFU2. 1H NMR - Num of Diff Hydrogens - WFU3. Wake Forest University Webserver Stats - WFU4. What is/ how do you calculate the chemical shift in an NMR ...5. organic chemistry help, 2010 Best of the Web6. Printable Version - OChemTutor.com7. The best wesites for organic chemistry study(页1) - 化学综合- 新 ...8. دانلود نرم افزار شیمی و کتاب شیمی9. Web resources for spectroscopy:10. Google Directory - Science > Chemistry > Nuclear Magnetic ...Search Options

Links to Other Organic SitesIntroduction to SpectroscopyTable of ContentsSpectroscopy ResourcesSpectroscopy Problems