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
Abstract:
Heteronuclear long-range scalar coupling constants (nJCH) 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 1H frequency selective HSQMBC experiments for the easy and accurate measurement of either the magnitude or both the magnitude and the sign of long-range nJCH couplings. The performance of these experiments will be showcased with several scenarios in a range of different experimental conditions.