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September 15, 2009 (Vol. 29, No. 16)


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The author of this site clearly has methodological allegiances, as he plainly states, “NMR spectroscopy is certainly the analytical methodology that provides the most information about a molecule.” (I know some researchers who would disagree with that assertion.) In any event, no matter whether NMR is the top dog among analytical methods, nmrdb.org deserves mention as a very useful database. Aiming to provide user-friendly, accessible software for spectral analysis and a database that permits complex queries, nmrdb.org utilizes java applets to display and analyze NMR spectra. In addition to the NMR Assigner, which allows one to upload and assign a spectrum online, the NMR Resurrector and Predictor are also available on this site. The Resurrector (which could pass as a great superhero name, if this whole NMR-analysis gig doesn’t work out) recreates a spectrum based on spectral descriptions, whereas the Predictor predicts a spectrum based on the chemical structure of a molecule.

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