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A rare example of extremely strong carbon—carbon coupling: Analysis of 13 C and 1 H NMR spectra of a 13 C 2 ‐acetylenic ketone
Author(s) -
Auchus Richard J.,
d'Avig André,
Covey Douglas F.
Publication year - 1987
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.1260250515
Subject(s) - chemistry , spectral line , nmr spectra database , coupling constant , carbon 13 nmr , carbon 13 nmr satellite , carbon fibers , coupling (piping) , carbon 13 , nuclear magnetic resonance spectroscopy , chemical shift , abx test , crystallography , analytical chemistry (journal) , stereochemistry , fluorine 19 nmr , organic chemistry , physics , mechanical engineering , materials science , particle physics , astronomy , composite number , engineering , composite material , statistics , mathematics , quantum mechanics
NMR spectra are reported for an acetylenic ketone enriched with 13 C in the acetylenic carbon atoms that exhibits extremely strong C‐C coupling. Chemical shifts and coupling constants have been extracted from computer simulations of the second‐order 1 H and 13 C spectra. The two acetylenic carbon atoms exhibit a Δ ν/J ratio of 0.2. Owing to the strong coupling, the double‐quantum coherence 13 C spectrum requires an unusually long (58 ms) interpulse delay time in order to obtain a good spectrum. NMR spectra of this compound provide a unqiue example of strong coupling in a CCH (AB or ABX) spin system.