NMRPredict Help

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  Running a Prediction
  Inspecting Prediction Results
  C13 NMR Prediction in Detail
  Proton NMR Prediction in Detail




Identical Structures

If identical structures to the one being predicted exist in the underlying databases these will be shown to the right of the prediction grid. Note that identity works on the basis of a flat molecule and does not take stereochemistry into account - even if selected for the prediction.

The list of identical structures is shown together with the database the record is from and the solvent the record was recorded in.

Double clicking on any record in the grid retrieves the database record. Information shown will include the spectrum, peak table, structure and property information.