- Nuclear Magnetic Resonance Spectrometer
- Accurate NMR spectrum prediction software "NMRPredict"
Accurate NMR spectrum prediction software "NMRPredict"
- Related Products
'NMRPredict' predicts 1H and 13C NMR spectra including stereochemical considerations from structures using modern algorithms. Force-field calculation and parametered functional group information are used for 1H-NMR spectrum prediction. The 13C-NMR spectrum is reliably predicted by using both a stereochemical database (HOSE code) approach and a neural network approach.