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.
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.
Search by catalogue number, name, formula and CAS registry number. IR, FT-IR, Raman and/or NMR spectra are available for many compounds. They can be found under the Safety & Documentation tab.
The AEDC/EPA database contains experimental and calculated spectral data of interest to the pollution monitoring and gas diagnostics community. Spectra files are in .spc format, requiring a special viewer such as ShowSPC.
MoNA is an online repository for mass spectral data maintained by the Fiehn Lab at the University of California, Davis. It currently contains about 200,000 records.
This database provides easy access to a selection of the most important and frequently used atomic spectroscopic data, including data for the neutral and singly-ionized atoms of all elements, hydrogen through einsteinium.
These databases contain spectral data for diatomic, triatomic, and hydrocarbon molecules originally published in the Journal of Physical and Chemical Reference Data.
RRUFF provides access to high quality spectral data ontained from thousands of minerals. A partnership of the University of Arizona and California Institute of Technology.