Towards the automatic analysis of 1H NMR spectra:: Part 4 -: Additional requirements of flow-NMR

Flow-NMR allows more rapid and convenient acquisition of NMR spectra. Its main application area has therefore been in multiple parallel synthesis or combinatorial chemistry. At the same time, there is a significant need to automate the analysis of the resultant spectra. However, flow-NMR brings spectral imperfections, which compromise attempts to automate this analysis. This study proposes experimental and computational expedients to accommodate the effects of residual solvent peaks, C-13 satellites, finite signal-to-noise ratio, impurities, presaturation on integral calculations, the 'silent' region and how multiplet areas can be scaled to numbers of protons in this environment. Copyright (C) 2004 John Wiley Sons, Ltd.