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Fast searching for identical 13 C NMR spectra via inverted files
Author(s) -
Bremser W.,
Wagner H.,
Franke B.
Publication year - 1981
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270150212
Subject(s) - spectral line , chemical shift , nmr spectra database , molecule , physics , chemistry , nuclear magnetic resonance , quantum mechanics , astronomy
Inverted files of spectral features should be employed when searching for identical or similar spectra. The efficiency of interescting the entries for chemical shifts with a small deviation is very high for larger molecules and incomplete spectra. A novel spectral code describing the spectral appearance in hierarchical order (SAHO) facilitates the search for complete spectra with a relatively high tolerance of the chemical shifts. A vailable information on the chemical composition of the molecule, as well as the incusion of SFOR‐multiplicities, will further narrow down the number of suitable reference compounds.