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13C Chemical Shift Calculation Home-Page
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ACD/HNMR Predictor
ACD/HNMR generates spectral Proton NMR plots with exact line numbers, intensities, locations and assignments. It contains an internal database of over 1,440,000 experimental chemical shifts and 494,000 coupling constants.
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ACD/CNMR
Calculates 13C NMR spectra and e.g. spin-spin interactions, emulates off-resonance, DEPT, J-modulation. Contains an internal database with over 2,160,000 experimental chemical shifts.
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SPINUS - Prediction of 1H NMR spectra
A web service for the prediction of the full 1H NMR spectrum from the molecular structure. It is based on artificial neural networks that learned experimental data.
FID
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