Recent advances in NMR prediction and automated structure elucidation software.

摘要: Nuclear magnetic resonance is now routinely accessible to synthetic chemists. The generation of high quality NMR data including multidimensional experiments no longer a rate-limiting step. Rather, the analysis has become primary hurdle for chemist, as it been skilled spectroscopist many years. Both personal computer and web-based software tools are available estimation prediction spectra based on structural input dream solution automated elucidation spectral also becoming increasingly available. These offer both non-skilled experimentalist much-needed assistance in interpretation.