Chemistry

Thermochemical, thermophysical, and ion energetics data compiled by the National Institute of Standards and Technology (NIST) under the Standard Reference Data Program. A user guide is available.

An open-source web database of organic structures and their nuclear magnetic resonance spectra which allows for spectrum prediction as well as searching spectra, structures, and other properties. Also available as a standalone client for computers running a JAVA VM 1.4 or higher.

An integrated database of Raman spectra, X-ray diffraction and chemistry data for minerals.

A free integrated spectral database for organic compounds containing six types of spectra: electron impact Mass (EI-MS); Fourier transform infrared (FT-IR); ¹H nuclear magnetic resonance (NMR); ¹³C NMR; laser Raman; and electron spin resonance (ESR). (National Institute of Advanced Industrial Science and Technology, Japan)

Contains a compilation of NMR spectra and problems as well as an extensive bibliography of literature in NMR spectroscopy.