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Long‐range carbon–carbon connectivity via unsymmetrical indirect covariance processing of HSQC and HMBC NMR data
Author(s) -
Blinov Kirill A.,
Larin Nicolay I.,
Williams Antony J.,
Zell Mark,
Martin Gary E.
Publication year - 2006
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.1766
Subject(s) - heteronuclear single quantum coherence spectroscopy , chemistry , covariance , range (aeronautics) , carbon 13 nmr , carbon fibers , computational chemistry , nuclear magnetic resonance spectroscopy , organic chemistry , algorithm , aerospace engineering , statistics , mathematics , composite number , computer science , engineering
It was recently demonstrated that an IDR‐ (Inverted Direct Response) HSQC‐TOCSY data set could be decomposed into a negatively phased direct response spectrum and a positively phased relayed response spectrum that could then be subjected to unsymmetrical indirect covariance processing for the removal of artifacts due to response overlap in the proton NMR spectrum of the molecule. Using experimentally discrete HSQC and HMBC data sets, it is shown that unsymmetrical indirect covariance processing of the pair of NMR spectra affords a presentation containing long‐range carbon–carbon connectivity information. The method is demonstrated using strychnine as a model compound. The resulting data are largely free of artifacts although artifacts can arise due to proton response overlap, as previously reported. Copyright © 2005 John Wiley & Sons, Ltd.