Columbus, Ohio (December 29, 2008)—CAS, a division of the American Chemical Society, announced today that scientists worldwide can now access more than 23.8 million predicted proton NMR spectra in SciFinder, its leading research and discovery tool and the authoritative source of information on more than 40 million chemical substances. These proton NMR spectra augment the 1.9 billion predicted and experimental properties and data tags already available in SciFinder.
NMR (Nuclear Magnetic Resonance) spectroscopy is a widely used technique in determining the structure of organic compounds. Researchers use proton NMR (also called 1H-NMR) as an important analytical tool in characterizing molecules across a variety of chemical research fields. For example, the spectra, now in SciFinder, are widely used by synthetic chemists to identify and validate synthetic targets.
CAS is making the proton NMR spectra available through an agreement with ACD/Labs, a respected organization that has supplied other properties information to CAS.
CAS, a division of the American Chemical Society, provides the world’s largest and most current collection of chemical and related scientific information, including the most authoritative database of chemical substances, the CAS REGISTRY™. CAS combines these databases with advanced search and analysis technologies to deliver the most complete, cross-linked and effective digital information environment for scientific research and discovery, including such products as SciFinder, STN®, STN Express®, and STN® AnaVist™, among others. The CAS web site is www.cas.org.