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Spectra–structure relationships in carbon‐13 nuclear magnetic resonance spectroscopy. Results from a large data base
Author(s) -
Milne G. W. A.,
Zupan J.,
Heller S. R.,
Miller J. A.
Publication year - 1979
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.1270120508
Subject(s) - substructure , chemical shift , spectral line , base (topology) , carbon fibers , spectroscopy , nuclear magnetic resonance spectroscopy , carbon 13 , range (aeronautics) , chemistry , nuclear magnetic resonance , chemical physics , materials science , physics , computer science , engineering , nuclear physics , algorithm , mathematics , quantum mechanics , mathematical analysis , structural engineering , composite number , composite material
A link between a substructure searching system and a 13 C NMR data base has been established and permits the retrieval and examination of the chemical shifts associated with specific substructures. The means by which these searches are accomplished is described and the results from the searches are presented and discussed. The system is interactive, and can be used to locate in the data base the chemical shifts of carbon atoms in precisely defined environments. Alternatively, it may be used to learn the range of the chemical shifts possessed by particular types of carbon atoms, such as N ‐methyl or O ‐methyl carbons.