Determination of unresolved heteronuclear scalar coupling constants by J(up)-HSQMBC

Abstract

Long-range heteronuclear scalar coupling constants provide important structural information, which is necessary for obtaining stereospecific assignment or dihedral angle information. The measurement of small proton-carbon splittings is particularly difficult due to the low natural abundance of carbon-13 and the presence of homonuclear couplings of similar size. Here we present a real-time J-upscaled HSQMBC, which allows the measurement of heteronuclear coupling constants even if they are hidden in the signal linewidth of a regular spectrum.

Keywords: Band-selective decoupling; HMBC; Homonuclear decoupling; J-upscaling; NMR spectroscopy; Structure analysis.