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Revision of the 13 C NMR signal assignment of harman, based on one‐ and two‐dimensional INADEQUATE spectroscopy
Author(s) -
Welti D. H.
Publication year - 1985
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260231016
Subject(s) - chemistry , spectroscopy , nuclear magnetic resonance spectroscopy , coupling constant , molecule , spectral line , spectrum (functional analysis) , resonance (particle physics) , carbon 13 , computational chemistry , nuclear magnetic resonance , stereochemistry , atomic physics , organic chemistry , quantum mechanics , physics
Abstract For harman, a key molecule in the structure elucidation of β‐carboline‐type plant alkaloids, an unambiguous assignment of the 13 C NMR spectrum is given, based on two‐dimensional INADEQUATE spectroscopy. One‐bond carbon—carbon coupling constants have been obtained from one‐dimensional INADEQUATE spectra. The unequivocal results obtained by these methods allow the correction of all earlier, controversial resonance assignments for harman in the literature. The assignments for a number of related molecules will, in turn, have to be corrected.