Nuclear Magnetic Resonance

Predict how the 1D and 2D NMR spectra of several compounds will look like and anticipate the chemical shift, intensity and multiplicity of their 1H and 13C entities.

Predict 1H NMR spectra

Draw any organic compound and predict the chemical shift (δ), multiplicity and intensity for its 1H entities.

Get a fast analysis of the expected NMR signals, including the corresponding assignation and the formal spectral description.

Predict 13C NMR and DEPT spectra

Draw any organic compound and predict the chemical shift (δ), carbon type and intensity for its 13C entities.

Get a fast analysis of the expected NMR signals, including the corresponding assignation and the formal spectral description.

Simulate 2D NMR experiments

Get a complete prediction of homo- and heteronuclear 2D NMR spectra by simply supplying the molecular structure of any compound.

  • 1H-1H COSY
  • INADEQUATE
  • HSQC/HMQC
  • HMBC

Take advantage of the elucidation assistant

Let ORCOD LabBook Pro advise you on which NMR signals you should see on every NMR experiment in order to confirm the identity of the expected molecule.