High‐resolution NMR correlation experiments in a single measurement (HR‐PANACEA)

Abstract

Three important NMR pulse sequences, INADEQUATE, HSQC and three-dimensional HMBC have been combined into a single entity called high-resolution Parallel Acquisition NMR: an All-in-one Combination of Experimental Applications (HR-PANACEA) to provide reliable structural information about a small molecule in a single measurement. This exploits a recent instrumental development that permits simultaneous acquisition of signals from several nuclear species, using multiple receivers. Where high-precision values of the long-range heteronuclear splittings are important, selected regions of a large experimental data matrix are extracted and examined with the highest possible resolution. The J-doubling technique is then applied to derive precise values for these couplings. As proof of principle, the method is applied to the molecule of methyl salicylate, confirming the expected conformation of the C-O-H moiety.