Answered By: Library Staff
Last Updated: Mar 22, 2016     Views: 3054

1. You can get some online spectra data from the Sigma-Aldrich Company website.  Use the search from http://www.sigmaaldrich.com/catalog/search/AdvancedSearchPage  When you have drilled down to a page for a single product, look at the links in the left column under "Useful Links & Tools":

screen shot from the sigma aldrich website
based on: Crear Library News: Aldrich Spectra

2. The NIST Chemistry WebBook http://webbook.nist.gov/chemistry/ This site has IR spectra, Mass spectra, UV/Vis spectra and other data.

3. BS - Integrated Spectral Data Base System for Organic Compounds http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng  Includes 6 different types of spectra under a directory database of the compounds. The spectra are EI mass, 1H decoupled 13C NMR, 1H NMR pattern (90 and/or 400 MHz), 1H NMR parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR. Produced by the National Institute of Advanced Industrial Science and Technology of Japan.

4. NMRShiftDB  http://www.nmrshiftdb.org/nmrshiftdb/ It is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data. Provides 13C, 1H and 15N NMR shift data.

Aldrich IR Spectra5. The library owns some paper copies of compilations of chemical spectra from various sources, including the Aldrich and Sadtler companies (many of them are in compact shelving).  Click here to do a preprogrammed search of the library catalog (this catalog search produces some irrelevant items, so look over the results list very carefully).

7. Search Scifinder Scholar for appropriate journal articles that might have the data. See this website for advice about narrowing your search to spectra in Scifinder.

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