Assisted assignment by using the predictions

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You can use Predict&Compare (or Predict&Verify) to make your assignments.

 

Just open a 1D-NMR dataset with a molecular structure and follow the menu 'Prediction/Predict&Compare'. After the prediction is run, Mnova synthesizes the corresponding 1H-NMR spectrum using a rigorous full quantum mechanics method taking into account any second order effect present in the predicted spin(s) systems(s).

For example, in the figure below, you can see the results of running a prediction and comparing the resulting 1H spectrum with its experimental counterpart and the applicable assignments for the predicted spectrum:

 

Predict and Compare1

 

Next, you will only need to press the 'A' key to activate the assignment mode and select the atom and the applicable region of the experimental spectrum to be assigned (following the assignments of the predicted spectrum):

 

assisted assignment

 

If you load a 1H-NMR spectrum with a multiplet analysis and run Predict and Compare; you will get a stack plot with the multiplet boxes displayed in the experimental spectrum, so you can easily assign those multiplets to the molecular structure and finally update the 'Prediction DB' if you wish:

predictandCompare_multiplets