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16/01/2012. Mnova 7.1.1 has been released. Download it
Prediction of 1D (1H, 13C, 15N, 19F, 31P, 17O, 29Si) and HSQC Verification 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!
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
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.
The software calculate in the background a simulation of the spectrum of the molecular structure present in the spectral window, highlighting the expected chemical shifts when the user hovers the mouse over a proton or a carbon.
This tool will be very useful to help the user in the process of assigning 1D NMR spectra.
