Skip to main content
It looks like you're using Internet Explorer 11 or older. This website works best with modern browsers such as the latest versions of Chrome, Firefox, Safari, and Edge. If you continue with this browser, you may see unexpected results.
Course & Subject Guides
Image Credit: National Institutes of Health, Menthol Proton Spectrum.jpg from "Proton nmr" in Wikipedia.
These books containing spectra are available in the Chemistry Library.
Want to practice your skills at interpreting NMR and IR spectra to identify chemical structures? This web site provides problems of varying degrees of difficulty along with tips on interpretation.
This web site is maintained by the Department of Chemistry and Biochemistry at UCLA.
Web Sources of Spectra
SDBS, Spectral Database for Organic Compounds
Search for a compound to see its spectra, or search for peaks in a spectrum to see what might match. Available spectra may include mass spectrum, 13C and 1H NMR, IR, Raman, and ESR. This free web site is maintained by the National Institute of Advanced Industrial Science and Technology (AIST) in Japan.
NIST Chemistry WebBook
Mass spectra, IR, and UV/Vis spectra may be included in the record for a chemical substance on this free web site maintained by the U.S. National Institute of Standards and Technology.
IR, Raman, or NMR spectra are linked to the records of some, but not all, chemical substances listed in this catalog. Search for a substance, view the full record, and check for spectra under the Safety & Documentation tag.
ChemSpider records for chemical substances often include links to spectral data submitted by users. The ChemSpider database is owned by the Royal Society of Chemistry.
Chemical substance records may include links to NMR, IR, Raman and mass spectra. They may also include literature references to other types and sources of spectral data.
Each SciFinder user must register
for a personal account before searching. It’s advisable to check the instructions before registering and choosing a username and password. You must use a computer connected to the Pitt network and enter your Pitt email address when registering.
Chemical substance records may include literature references to NMR, IR, UV/Vis, Raman, mass spectrum, and other types of spectral data. The spectra images are not included, but experimental conditions often are, making identification of relevant references easier.
Did you know . . .
. . . that ChemDraw can predict proton and 13C NMR spectra for a chemical structure you draw with the program?
Access ChemDraw in the campus computing labs below, or acquire your own copy from the Pitt Software Download Service.
Campus Computing Labs
Check the locations and availability of the Campus Computing Labs maintained by Computing Services and Systems Development (CSSD).
Check what software is available in the Campus Computing Labs and what you can acquire for your own personal use.