Starting Guide 1D 1H-NMR in Mnova 12

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In this starting guide we would like to show you how to quickly open, process, analyse and report a 1H NMR spectrum using the latest ribbon control interface integrated with Mnova 12. You can also watch this video.

1D 1H-NMR (Mnova 12)

Once you open Mnova, the first thing we recommend you is to open the Data Browser. To do this go to ‘View’ and select ‘Data Browser’.

You can find some datasets in the Mestrelab Research folder located in your computer following this path ‘Mestrelab Research S.L\MestReNova\examples\datasets\Quinine1H’. For this example just drag the ‘Quinine1H’ Mnova file and drop it into the Data Browser.

Note that if you like to have the ‘Pages’ panel with all your spectra on the left side of the screen, you can move the Data Browser panel to the right just via doing drag&drop as you can see below:

Also note that if the dataset folder contains a .mol file, the molecular structure will be automatically loaded. Otherwise you will be able to copy & paste molecular structures from your prefer drawing package such as Chemdraw, IsisDraw or Chemsketch by doing Ctrl+C & Ctrl+V, or Cmd+C & Cmd+V.

Back to the spectrum we could improve the baseline. To do this go to ‘NMR/Processing’ and then apply ‘Auto baseline correction’.

This spectrum is now ready for analysis so go now to ‘NMR/Analysis’ and select ‘Reference’ to make sure that this peak is set to the suitable chemical shift.

Now, click ‘Auto Multiplet Analysis’ button to carry out Peak picking, Integration and Multiplet analysis in one go.

Once the analysis is done, zoom in on one of the peaks and double click on any of the purple boxes in the middle to open the ‘Multiplet Manager’ table. You can use the blue arrows to navigate through the different peaks to make sure the results are correct.

In order to prepare your NMR report, go to ‘Analysis’ and select ‘NMR/Multiplets table‘.

On the multiplets table go to ‘Setup report’ and make sure you use the journal format required for your purposes.  Then click on ‘Report Multiplets’  and locate the report on a suitable place on your spectrum. To complete the report you can drag the .mol file with the structure (if not already loaded) and also display the parameters table by selecting Parameters in ‘View/Tables/Parameters’

Once you are satisfied with the data, go to ‘File/Save’ to save it, as an Mnova document, and you can also go to ‘File/Export to pdf’.

You can also watch our video ‘1D 13C-NMR in Mnova – Starting guide’

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Enrique Sánchez

Scientific Content Editor in Mestrelab Research S.L. Read his profile here.

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