Accurate prediction of 1H and 13C NMR spectra from a chemical structure. Prediction of other nuclides is also available. .
Easy comparison between predicted and experimental spectra
Ability to graphically adjust the predicted chemical shifts with the mouse
NMRPredict can be trained with experimental assignments to enhance the quality of the predictions.
1H Predicted spectra are synthesized using a robust and efficient spin simulation algorithm that t
Mnova NMRPredict Desktop allows Prediction of 1D (1H, 13C, 15N, 19F, 31P, 17O, 29Si) and HSQC from molecular structure (mol file, ChemDraw, IsisDraw, ChemSketch) within Mnova. Easily combine and compare experimental and predicted data as part of your workflow and leverage your company’s unique knowledge. Make better decisions faster!