Advanced Chemistry Development, Inc. (ACD/Labs)

NMR Capabilities


ACD/Spectrus Processor is a multi-technique analytical data processing and interpretation application that provides a number of NMR-specific capabilities.

  • Handle 1D and 2D NMR data (from experiments such as COSY, HETCOR, TOCSY and HMQC/HMBC/HSQC) for 1H, 13C, 15N, 19F, 31P nuclei
  • Carry out basic spectral manipulations such as Fourier Transform, weighting functions, manual and automated phase correction, baseline correction, and calibration
  • Support for import of FID and FT data from all major spectrometer vendor formats including Bruker, Varian, and JEOL (see the full list below)
  • Automatically create multiplet reports
  • Get help with spectral interpretations from real-time feedback on which atoms in a structure should be assigned to a multiplet
  • Automate routine workflows for pre-processing upon data import

Structure Verification

Confirm the consistency of chemical structures with experimental data (1D and 2D) with one click. Simply drag-and-drop, or copy and paste, a chemical structure for immediate feedback.

Structure verification using NMR data can be further enhanced with NMR predictors. ACD/Spectrus Processor NMR Structure Verification

Spectral Library Searching

Spectrus Processor provides powerful search and view access to analytical databases. Records are searchable by a variety of structural, spectral and text-based parameters, and search results are overlaid on the query spectrum with color highlighting of matching signals for easy interpretation. For in-house databases, Spectrus Processor offers corporate knowledge-sharing by extending these capabilities with the ability to re-process and re-interpret the data to help answer new questions. Learn more Learn more about ACD/Spectrus Processor knowledge management

Third-party NMR databases such as the Aldrich NMR Library and Specs NMR Library can be combined with Spectrus Processor for comprehensive searches.

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