How to Draw Structures for Accurate NMR Predictions
Technical Note How to Draw Structures for Accurate NMR Predictions Version 10 Advanced Chemistry Development, Inc. Toronto, ON, Canada www.acdlabs.com Introduction These rules were developed to conform with the algorithmic requirements of ACD/Labs prediction software 1 (ACD/CNMR, ACD/HNMR, ACD/FNMR, ACD/NNMR, ACD/PNMR, and ACD/2D NMR Predictor). General requirements: 1. ACD/Labs software predicts the spectrum of the actual structure you have drawn. It does not take into account the formation of complexes and salts (intramolecular, with the solvent or in case of
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