Finding Spectra and Spectral Data in the Literature: Electronic Resources Containing Spectra or References to Spectra

• Aldrich/Sigma/Fluka Combined Catalog - contains links to pdf images of NMR, IR, and Raman spectra, when available, for all compounds sold by any of the three companies. Proton NMR spectra include integration. Not all substances in the catalog will have all kinds of spectra.

Spectra Included - ¹H NMR, ¹³C NMR, FTIR, Raman

• Beilstein Handbook of Organic Chemistry - covers more than 8.8 million organic compounds, gives references but no graphical spectra for many of them. Many different spectroscopic methods are represented. Literature references may include spectral diagrams (this is noted in the Beilstein record) but frequently contain only spectral lines, peaks, and maxima.

Spectra Included - NMR, ESR, NQR, Rotational, IR, Raman, UV/VIS, Luminescence, Fluorescence,  Phosphorescence, MS

• Gmelin Handbook of Inorganic Chemistry - covers more than two million inorganic and organometallic compounds. Like Beilstein, it gives references but no graphical spectra for many of them. Many different spectroscopic methods are represented. Literature references may include spectral diagrams.

Spectra Included - NMR, ESR, NQR, Rotational, IR, Raman, UV/VIS, Luminescence, Fluorescence,  Phosphorescence, MS, Moessbauer, UV Photoelectron, X-Ray Photoelectron, X-Ray, Auger, Electron Energy Loss

• The NIST Chemistry Web Book -  includes 40,000 compounds, mostly small organics and inorganics. Not all compounds' records include all possible spectra, and some have no spectra associated with them.

Spectra Included - FTIR, MS, UV/VIS

• SDBS Integrated Database of Spectra of Organic Compounds - more than 30,000 organic compounds and their spectral diagrams. Includes several major spectroscopic techniques and gives spectral diagrams of all spectra, as well as locations of all major peaks or absorbances. Not all substances have all types of spectrum associated with them.

Spectra Included - FTIR, MS, ESR, Raman, ¹H and ¹³C NMR

• Spectroscopic Tools at the University of Pottsdam - calculators for various spectroscopic shifts and absorbances. Simply type in the value of the ppm, mass, or wavelength in your spectrum, and it will return a list of functional groups that fit that value.

Types of Spectral Properties Included - FTIR, MS, ¹H NMR