Mestrelab Research:Chemistry Software for NMR and LC GC MS

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10/05/2013. Mnova 8.1.2 has been released. Download it and do check our new qNMR plugin

Mnova NMRPredict Desktop

Overview

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!

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We have prepared a very short video explaining how Mnova NMRPredict Desktop can be useful to you.

The use of Mnova at the Princeton NMR Laboratory for the last couple of years has proven an excellent decision

Carlos Pacheco. Sr. NMR Spectroscopist at Princeton University

Highlighted features

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1H NMR Auto-assignments

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.

Predict NMR spectrum from molecular structure

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.

Predict and compare simulated with experimental spectrum

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.