How to measure long-range proton-carbon coupling constants from 1 H-selective HSQMBC experiments

Josep Saurí; Pau Nolis; Teodor Parella

doi:10.1002/mrc.4928

How to measure long-range proton-carbon coupling constants from ¹ H-selective HSQMBC experiments

Magn Reson Chem. 2020 May;58(5):363-375. doi: 10.1002/mrc.4928. Epub 2019 Aug 15.

Authors

Josep Saurí¹, Pau Nolis², Teodor Parella²

Affiliations

¹ Structure Elucidation Group, Analytical Research and Development, Merck & Co., Inc., Boston, MA.
² Servei de Ressonància Magnètica Nuclear, Universitat Autònoma de Barcelona, Barcelona, Spain.

PMID: 32239575
DOI: 10.1002/mrc.4928

Abstract

Heteronuclear long-range scalar coupling constants (ⁿ J_CH ) are a valuable tool for solving problems in organic chemistry and are especially suited for stereochemical and configurational analyses of small molecules and natural products. This tutorial will focus on the step-by-step implementation of several 2D ¹ H frequency selective HSQMBC experiments for the easy and accurate measurement of either the magnitude or both the magnitude and the sign of long-range ⁿ J_CH couplings. The performance of these experiments will be showcased with several scenarios in a range of different experimental conditions.

Keywords: IPAP; long-range proton-carbon coupling constants; selHSQMBC; selHSQMBC-TOCSY.

Publication types

Research Support, Non-U.S. Gov't

Grants and funding

PGC2018-095808-B-I00/Spanish MINECO/International