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"Telephone Directory" Format for NMR Spectra Retrieval

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Abstract:

The system described expedites the identification of an unknown sample by facilitating retrieval of known NMR spectra from an in-house reference spectral library. A definitive signature is affixed to each compound. Computer facilities print out the encoded data, matching chemical name with NMR spectral signature. The resulting compendium may then be searched for a signature equivalent to that of the spectrum of the unknown compound. In actual use, identification of an unknown has been made in every case that a reference spectrum was present in the files.

Keywords: Compound identification; NMR spectroscopy; Spectra retrieval

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/000370272774352407

Affiliations: International Flavors and Fragrances, Inc., Research and Development Center, 1515 Highway 36, Union Beach, New Jersey 07735

Publication date: March 1, 1972

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