Quantitative data derived from NMR spectroscopic investigations of biological macromolecules. (Univ. of Wisconsin)

Contains IR spectra (via interactive applet) for various compounds. The directory can be searched by registry number, molecular formula, chemical name or synonyms in different languages as well as by physical and chemical characteristics and combinations of those data. May also be searched by substructure.

Contains IR, mass, electronic/vibrational, and UV/VIS spectra from various evaluated sources.

NMR web database for organic structures and their Nuclear Magnetic Resonance (NMR) spectra.

The PubChem Substance Database contains descriptions of samples, from a variety of sources, and links to biological screening results that are available in PubChem BioAssay.

FT-IR/Raman and NMR spectra of most compounds in the catalog are available as PDF files. Search by catalog number, name, formula, CAS registry number.