NMRPredict Help

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




NMRPredict Help


Logging in
Initial screen
Running a prediction
Inspecting prediction results
2D Prediction display
Renumbering a structure
Saving structures, predictions and peak lists
Selecting paths

C13 NMR Prediction

C13 NMR Prediction overview
Selecting databases
Drilling down into the database
Identical structures
Selecting solvents
Text, property and structure search
Peak search
Loading or inputting a peak list
Importing ACD C13 and X-Nuclei databases

Proton NMR Prediction

Force field calculations
Parametrised functional groups
Setting Proton Prediction options
Inspecting Proton Prediction results
Importing ACD proton databases