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Newsletter 6

NMR

[Theory] [Practice] [Spectrum interpretation] [Predictions] [Databases] [Resource guides] [Questions?]

- Theory -

- Practice -

- Spectrum interpretation -

- Predictions -

  • 13C Chemical Shift Calculation Home-Page

  • 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.

  • 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.

  • 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.

- Databases -

FID

- Resource guides -

- Questions? -