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The Auto Assignment Algorithm of Mnova, combines several software techniques we had developed in recent years as tools for expert tasks such as automatic detection and characterization of spectral peaks, automatic solvent detection and automatic structure verification.

Please note that you need both Mnova NMR and Mnova NMRPredict Desktop in order to be able o use 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.

Click here to download the Mnova document used at this tutorial.

1H NMR Auto-assignments

Mnova will automatically run a multiplet analysis and will fully assign your spectrum with the applicable molecular structure. The multiplet boxes will be renamed with the corresponding atom number of the molecule and you will get an assignment label with the atom number over the applicable peak. In addition, hovering the mouse over the atom will highlight the applicable signal in the spectrum.

1H NMR Auto-assignments 2

Please note that you need a Mnova NMR and NMRPredict Desktop License. Contact us to verify that you have them or to do a free trial.

Watch automatic assignments on a video

Or see Santi Dominguez’s presentation of 1H NMR Auto Assignments in Mnova

Last modified: October 8, 2013 by Olalla Lema