Structure Verification with ACD/Spectrus Processor

Access to the industry's leading NMR predictions directly within Spectrus Processor

Structure Verification with ACD/Spectrus Processor

One of the most powerful features in ACD/Spectrus Processor is the ability to perform structure verification with one click; to confirm the correspondence between a chemical structure and the experimental NMR data.

The powerful set of features in ACD/Spectrus Processor can be further complimented with the ability to generate predicted spectra directly in the Processor interface for quick and easy comparisons between experimental and predicted spectra.

With the simple input of a chemical structure in the drawing interface of Spectrus Processor, NMR spectra complete with chemical shift and coupling constant information are generated within seconds.

NMR prediction capabilities are available for the following nuclei:

  • 1H
  • 13C
  • 15N
  • 19F
  • 31P
  • 2D NMR predictions for both homonuclear and heteronuclear experiments

A variety of different prediction algorithms are available to choose from including both HOSE code and neural net algorithms to provide the most accurate chemical shifts in the prediction of spectra also taking into account stereochemistry.

Combining ACD/Spectrus Processor and NMR Predictors makes structure verification easier and more accessible than ever before. Learn more about our NMR Predictors here.

We are currently offering a special discount on corporate deployments of ACD/Spectrus Processor and ACD/NMR Predictors bundles. Contact us today for complete pricing information!