ACD/NMR Predictors by Advanced Chemistry Development, Inc., (ACD/Labs)

Predict 1D and 2D NMR spectra from structures


ACD/NMR Predictors by Advanced Chemistry Development, Inc.,  (ACD/Labs) product image
1H, 13C, 15N, 19F, and 31P nuclei
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Use ACD/NMR Predictors to predict 1D and 2D NMR spectra, chemical shifts, and coupling constants for 1H, 13C, 15N, 19F, and 31P nuclei with industry-leading accuracy. 

  • Calculate NMR chemical shifts and scalar coupling constants for 1H, 13C, 15N, 19F, and 31P nuclei
  • Predict 2D NMR spectra (HSQC, HSQC-TOCSY, HMBC, COSY, and more)
  • Compare predicted and experimental NMR spectra
  • Simulate NMR spectra for mixtures and peptides
  • Improve prediction accuracy by training with experimental data