A rare example of extremely strong carbon—carbon coupling: Analysis of 13C and 1H NMR spectra of a 13C2‐acetylenic ketone

Richard J. Auchus, André d'Avignon, Douglas F. Covey

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Abstract

NMR spectra are reported for an acetylenic ketone enriched with 13C 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 1H and 13C spectra. The two acetylenic carbon atoms exhibit a Δ ν/J ratio of 0.2. Owing to the strong coupling, the double‐quantum coherence 13C 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.

Original languageEnglish
Pages (from-to)462-465
Number of pages4
JournalMagnetic Resonance in Chemistry
Volume25
Issue number5
DOIs
StatePublished - May 1987

Keywords

  • AB/ABX spin system
  • INADEQUATE acetylenic ketones
  • strong carbon‐carbon coupling

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