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1D Mixture Search Function,

The Ultimate NMR Software for Structure Characterization

ACD/NMR Workbook Suite provides advanced processing and interpretation tools for NMR Spectroscopists looking to deliver fast turnarounds on proof of structure reports. The application allows full processing of 1D and 2D data from all major instrument vendor formats.

Advanced Processing and Interpretation

  • NMRSync—Global Peak Picking and Assignments for all NMR DataNMRSync is game-changing technology that boasts the fastest peak picking and assignment workflow in the industry. Simply integrate a peak in the 1H spectrum and all other related peaks in the 1D and 2D NMR spectra will be quickly identified and linked. This same feature can be executed from any peak in any spectrum and also helps resolve overlapping 1H and 13C peaks from 2D NMR data.
  • Global NMR Assignment PreviewThe global assignment preview follows up the foundation set by NMRSync by helping to easily assign full NMR datasets as fast and as accurately as possible. Simply hover your mouse over any peak and receive immediate color-coded feedback on the best possible assignment. This preview is based on all linked peaks from NMRSync and uses ACD/Labs’ NMR prediction and connectivity-based algorithms to identify only the assignments that match all collected data.
  • Quick, Easy, and Concise ReportsA comprehensive assignment table is created on-the-fly, gathering chemical shifts, assignments, coupling constants, etc. from all experiments into a single reporting table. Multiplet reports in various journal and patent formats are automatically generated. Finally, correlation arrows are drawn on the chemical structure to clearly highlight key assignments that support a proof of structure.Reports are fully structure-searchable and elements can be exported in Adobe PDF, Microsoft Word, Excel, PowerPoint, ACD/ChemSketch, and others.
  • Keep Related Experiments Organized in Comprehensive ProjectsDetailed structure confirmation often relies on a multitude of NMR experiments, which poses a challenge when it comes to file organization and retrieval. NMR Workbook Suite makes this easy by combining and storing related experiments in Projects, preserving the connection between data files. This connection is crucial to enabling both the NMRSync and Global Assignment Preview features of NMR Workbook Suite.
  • Cluster datasets, review and analyze resultsCluster multiple datasets. Review results with multiple spectra overlay. View cluster members compared to the average spectrum for a group, or use the nearest neighbor table to identify the closest neighboring clusters. Clustering can be run on multiple data types (1H, 13C NMR). Learn more about the Clustering add-on.