SPECINFO — The spectroscopic information system on STN International
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SPECINFO, a few factual database available through the online host STN International, provides information on approximately 70,000 13C-NMR, 15,000 infrared and 5,200 hetero NMR (19F, 15N, 17O, 31P) high-quality spectra with corresponding structures for 84,000 compounds. In addition SPECINFO offers a set of calculation packages for spectral estimation and interpretation and full structure elucidation. In this paper the architecture of SPECINFO is briefly discussed and online retrieval capabilities are outlined in some illustrative examples. Furthermore the advantages of an integrated chemical environment, and future development plans are presented.
KeywordsPhysical Chemistry Analytical Chemistry Information System Inorganic Chemistry Chemical Environment
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