Chemistry

The NIST Chemistry WebBook provides access to data compiled and distributed by NIST, including IR, UV/Vis, MS spectra, and thermochemical and thermophysical properties information.

NMR database for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties.

Includes six different types of spectra under a directory database of the compounds: MS, NMR (two types), ESR, IR, and Raman. Spectra are constructed by direct transfer of the digital data from the spectrometers.