Molecular structure from a single NMR experiment

A procedure is described for determining the structure of a small molecule from a single NMR experiment. Several standard NMR sequences are combined so that the essential structural information is obtained in just one pass. Two-dimensional C-13-C-13 correlations ("INADEQUATE"), single- and multiple-bond C-13-H-1 correlations, and the conventiona C-13 spectrum are recorded in parallel, making use of separate receiver channels for acquisition of C-13 and H-1 signals. The natural-abundance C-13-C-13 correlation measurements employ a high-sensitivity cryogenically cooled probe, optimized for C-13 detection. An extension of this "all-in-one" sequence with three parallel receivers permits the corresponding natural-abundance N-15 spectra to be included.