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NMRPredict Version 3

NMRPredict version 3 was released in September 2006. In June 2007 it was shown to be the most accurate carbon 13 NMR predictor in an independent evaluation!

New features in Version 3include:

  • The addition of the substituent chemical shifts approach for proton NMR prediction developed by Professor Ernö Pretsch of ETH, Zürich
  • Now two very different, but complemenatry, approaches can be used for both C13 and proton prediction. NMRPredict uses both methods simultaneously and suggests the best predicted values
  • An additional optional 82,385 carbon 13 NMR spectra are also available taking the full size of the C13 database to 345,308 spectra

NMRPredict version 3 follows the hugely significant changes found in version 2.