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Accurate prediction of 1H and 13C NMR spectra from a chemical structure. Prediction of other nuclides is also available.

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!


13C NMR Prediction

Prediction of 13C NMR chemical shifts is carried out in Mnova NMRPredict using two different procedures which are then combined by means of the so called ´Best´ prediction.
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1H NMR Prediction

Prediction of 1H NMR spectra follows a similar approach to the case of 13C spectra.
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