Deconvolution of complex NMR spectra in small molecules by multi frequency homonuclear decoupling (MDEC)

Ana Paula D M Espindola, Ronald Crouch, John R. DeBergh, Joseph M. Ready, John B. MacMillan

Research output: Contribution to journalArticle

28 Scopus citations

Abstract

(Graph Presented) A new technique to deconvolute complex 1H NMR spectra of small molecules has been developed that utilizes shape selective pulses to simultaneously decouple multiple protons. A limitation in the assignment of the relative configuration of small molecules is the ability to accurately obtain coupling constants. Other methods such as the E.COSY and the 2D J-resolved are available to obtain complicated coupling constants; the multiple homonuclear decoupling method (MDEC) described is a rapid and simple technique. Three examples of increasing spectral complexity, menthol, cholesteryl acetate and a C16 fatty acid, demonstrate the utility of the technique. Increasing the experimental utility, the single pulse MDEC experiment can be incorporated in other 1D experiments, such as a 1D-TOCSY to solve specific problems.

Original languageEnglish (US)
Pages (from-to)15994-15995
Number of pages2
JournalJournal of the American Chemical Society
Volume131
Issue number44
DOIs
Publication statusPublished - 2009

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ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis
  • Biochemistry
  • Colloid and Surface Chemistry

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