NMRPredict Help

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

 

 

 

Saving Structures, Predictions and Peak Lists

Three types of file can be saved in NMRPredict:

  • The Structure either by clicking on the MOL icon or from File - Save MOL File As - pull down menu
  • The Prediction From the File - Save Prediction - pull down menu. This stores the prediction as an Ascii XML file which can be re-loaded at a later date
  • The Prediction From the File - Save NMR table - pull down menu. This stores the prediction as a text file for easy loading into other programs