One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple Stereocenters

Laura Castañar, Manuela Garcia, Erich Hellemann, Pau Nolis, Roberto R. Gil, Teodor Parella

Research output: Contribution to journalArticleResearchpeer-review

21 Citations (Scopus)

Abstract

© 2016 American Chemical Society. A novel approach for the fast and efficient structural discrimination of molecules containing multiple stereochemical centers is described. A robust J-resolved HSQC experiment affording highly resolved 1JCH/1TCH splittings along the indirect dimension and homodecoupled 1H signals in the detected dimension is proposed. The experiment enables in situ distinction of both isotropic and anisotropic components of molecules dissolved in compressed PMMA gels, allowing a rapid and direct one-shot determination of accurate residual dipolar coupling constants from a single NMR spectrum.
Original languageEnglish
Pages (from-to)11126-11131
JournalJournal of Organic Chemistry
Volume81
Issue number22
DOIs
Publication statusPublished - 18 Nov 2016

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