High Resolution 1H NMR Studies of Cyclic N-Nitrosoamines

Article abstract of DOI:10.1002/mrc.1260321012

Molecular modeling by molecular mechanics (MM2) calculations were used to predict conformational preferences of cyclic N-nitrosoamines.The results were compared with 1H NMR data.The observed geminal coupling constants ²J were considerably stronger for syn than for anti α-methylene protons and thus appear to be very useful for configurational predictions.The long-range ⁴J couplings across the nitrogen atom were observed directly from the 1D spectra. - Keywords: NMR 1H NMR Molecular modeling Cyclic N-Nitrosamines 1H,1H Spin-Spin coupling