Chemistry

Maintained by the U.S. National Institute of Standards and Technology (NIST), this database contains thousands of IR, Mass and UV/Vis spectra for organic and a few inorganic compounds.

PubChem contains more than 300,000 compounds with spectral data from a variety of public and commercial sources.

SciFinder (CAS Registry) has experimental spectra for more than 900,000 compounds and over 80 million predicted proton and 13C NMR spectra. IR, MS and NMR spectra are sourced from the Wiley spectral databases and the SDBS database.

SDBS, which is maintained by the National Institute of Advanced Industrial Science and Technology (Japan), contains data for about 34,000 compounds.