Application of the computer program GENOA and two-dimensional NMR spectroscopy to structure elucidation

The effectiveness and utility of the combined use of the interactive computer program GENOA and two‐dimensional double quantum coherence 13C NMR spectroscopy to solve structure elucidation problems are demonstrated with three examples. The substructural information inferred from the 1H NMR and 13C NMR spectra was insufficient to identify the structures of the example compounds. However, with the additional substructural information available from the two‐dimensional NMR experiment (which identifies directly bonded carbon atoms), the problems were solved in an extremely efficient manner.