NIST WebBook - Search for data on specific compounds in the Chemistry WebBook based on name, chemical formula, CAS registry number, molecular weight, or selected ion energetics and spectral properties.

SDBS - An integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. The compounds are mainly obtained from commercial sources and two thirds of the organic compounds in SDBS have between 6 and 16 carbon atoms. 13C NMR (ca 10,200 spectra) 1H NMR (ca 11,500 spectra).