Searchable chemical identification database from the National Library of Medicine (a TOXNET resource). Provides chemical structure (in 3D if you choose), chemical properties, names & synonyms, RN, and various toxicity data.
an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. The spectra are EI mass, 1H decoupled 13C NMR, 1H NMR pattern (90 and/or 400 MHz), 1H NMR parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR.