EI-MS: Electron Impact Mass Spectrum
ESR: Electron Spin Resonance
FT-IR: Fourier Transform Infrared spectrum
IR: Infrared spectroscopy
MS: Mass Spectrometry
NMR: Nuclear Magnetic Resonance
UV/Vis: Ultraviolet/Visible spectrocopy
EPA Emission Measurement Center Spectral Database - Requires a viewer for .spc files like ShowSPC. Includes FTIR absorbance spectra, mainly for substances of environmental significance (e.g., common pollutants)
Mineral Spectroscopy Server (Caltech) - Includes optical, IR, and Raman spectra of rocks and minerals (inorganic)
Biological Magnetic Resonance Data Bank - (131 datasets) maintained by the University of Wisconsin (Madison) Biochemistry Department. Contains raw and processed data for proteins, nucleic acids, and other biomacromolecules.
NMRb archive, a depository (93 datasets) solely for raw NMR data maintained by the Centre de Biochimie Structurale (Montpellier) and the Institut de Biologie Physico-Chimique (Paris).
Spectral Database for Organic Compounds, SDBS - An integrated spectral database system for organic compounds,which includes 6 different types of spectra (EI-MS, FT-IR, 1H NMR, 13C NMR, Raman, ESR) under a directory of the compounds.
Spectral Information from PubChem -
Use the PubChem Classification Browser to locate all records containing a particular type of spectral information. The “Spectral Properties” node can be found under the “Chemical and Physical Properties” section in the PubChem Compound Table of Contents (TOC) classification tree.
The content comes primarily from four data sources: the NIST/EPA/NIH Mass Spectral Library, the Hazardous Substances Data Bank (HSDB), the Human Metabolome Database (HMDB) and Bio-Rad's SpectraBase. Read more here.
The Basics of NMR, by Joseph P. Hornak, Professor of Chemistry and Imaging Science at the Rochester Institute of Technology