Spectra Resources

Start with these:

SDBS (Spectral Database for Organic Compounds)

Spectra for +33,000 organic compounds, including 51,000 FT-IR, 14,700 ¹H NMR, 13,000 ¹³C NMR and 24,000 MS

NIST Chemistry Webbook

IR (16,000), MS (15,000) and UV/Vis spectra (1,600)

Sigma-Aldrich Catalog

FT-IR, Raman and NMR spectra of compounds in the Sigma-Aldrich catalog.

SciFinder (more about using SciFinder Scholar and SciFinder Web)

• Search the CAS Registry to find your substance by name or CAS Registry number (CAS-RN). In SciFinder Scholar go to Locate and search by Substance Identifier. In SciFinder Web go to Substances and search by Substance Identifier. Bring up the Registry record to view associated property data. Spectra are listed under the Experimental Properties.
  • Contains +480,000 spectra (¹³C NMR, IR, MS), with links to the actual spectra. If it just says "see full text," you'll need to go to the article referenced by the note number (references are at the bottom of the page).

Other spectra resources:

Aldrich Spectra Collections (print, S&E Reference)

Print collections of IR, NMR, FT-IR spectra. Chemical name index, and spectra are arranged by similar compounds.

Sadtler Spectra Collections (print, S&E Reference)

Largest collection of print spectra in the library, for over 80K substances. Name/MF indices refer you to record number in UV, NMR, and IR collections.

Properties of Organic Compounds

Property data for 29,000 organic compounds. Similar to Dictionary of Organic Compounds, but also includes numeric peaks for spectra (MS, UV, IR, ¹H NMR). Includes references to print spectra resources like Sadtler. Also part of CHEMnetBASE.

Beilstein

Indexes spectra for many of the 11 million organic compounds (IR, NMR, MS, Raman, UV/Vis, Fluorescence). No spectra are directly available in Beilstein. Each spectra "instance" will have one or more references to the literature where that spectrum may be found. Use the full-text link to locate the article online and/or in-print via UC-eLinks.