ACD/2D NMR Processor
Integration
Computer-Assisted Structure Verification
Integration of ACD/2D NMR Predictor with ACD/2D NMR Processor permits dual window display of calculated and experimental 2D NMR spectra, synchronization of predicted and experimental spectra, and peak-to-peak assignment, as well as overlay of predicted and experimental spectra. Use 2D NMR verification to automatically determine the correspondence between the attached structure and experimental spectrum. Evaluate the similarity through the output match factor.
Computer-Assisted Structure Elucidation
2D spectra and data can be directly loaded into ACD/Structure Elucidator to determine the mostly likely chemical structure for an unknown. This elucidation can be improved through integration with other ACD/Labs Processors such as ACD/1D NMR Processor, along with ACD/MS Processor and ACD/UV-IR Processor.
Reporting
2D NMR Processor and ChemSketch
Publishing your analytical data is easy in 2D NMR Processor because ACD/ChemSketch (included with the package) is a cutting-edge structure drawing and reporting package. It allows you to copy any NMR spectrum from the processor directly into common word processors, spreadsheets, or other software packages. This includes structure, analysis tables, user data, and user comments into a report. Among other things, ChemSketch can also save reports to PDF files, which allows you to find these reports by doing a structure search on your hard drive.
Advanced Processing and Analysis
An experimental 1D NMR FID can be imported to the 1D NMR Processor, transformed, processed, and then added to an experimental 2D spectrum in 2D NMR Manager. Any cross-section of 2D spectrum (sum of cross-sections) may be saved as 1D spectrum. Synchronization of 1D and 2D spectra is also available in multispectral mode. Assignment from 1D spectrum can be transferred to 2D spectrum of the appropriate type and vice versa.
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