Molecular structure from a single NMR supersequence

Abstract

New NOAH supersequences (NMR by Ordered Acquisition using ¹H-detection) are introduced that allow fast structure elucidation of organic molecules from a single measurement. The application of the proposed NOAH-3 BSC and NOAH-4 BSCN experiments, combining two new modules (ZZ-HMBC (B) and ASAP-COSY (C)) with multiplicity-edited HSQC (S) and NOESY (N), is exemplified here through their use in computer-assisted structure elucidation.