Mnova NMRPredict Desktop
From molecular structure to NMR spectra prediction and peak assignment
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!
New since version 8.0 –> 1H NMR Auto-assignments. Find out more!
We have prepared a very short video explaining how Mnova NMRPredict Desktop can be useful to you.
Both university and industrial laboratories will find it to be an asset.
Mark R. Wilcott. Adjunct Professor of Chemistry at Rice University
Mnova provides a very simple interface to automatically assign your molecule. Just load your 1H-NMR spectrum with the applicable molecular structure and follow the menu ‘Analysis/Auto Assignments’. You can also load your HSQC dataset in the same document, to increase the quality of the assignments.
Carrying out predictions of 1H, 13C, 19F, 31P, 15N, 17O and 29Si NMR spectra is very easy and intuitive with the Mnova NMRPredict Desktop plugin.
Just copy and paste your .mol or .sdf from ChemDraw, IsisDraw or ChemSketch, and right click on it to run the prediction.
NMRPredict Desktop will predict the NMR spectrum for the same nucleus as that of the experimental spectrum, on the same field and solvent (if available) and with the same linewidth, and will display it stacked with the experimental spectrum, for simple comparison. This is all done automatically when invoking the command, with no decisions or time consuming operations required from the user.