P NMR Predictor and Database
ACD/PNMR is an integrated software package that quickly and accurately calculates nuclear magnetic resonance spectra for structures containing Phosphorus 31. Create professional reports, and easily cut and paste into MS Word and PowerPoint.
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English
Supported Technologies
Windows 95/98/ME,
Windows XP/2000/NT
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Pricing
Users (# of seats)
info@acdlabs.com
800-304-3988
Additional Product Information
ACD's PNMR calculates and displays accurate Phosphorus 31 chemical shifts and coupling constants. Once a structure is drawn or imported into the ACD/ChemSketch interface, ACD/PNMR Predictor will calculate the predicted P-31 NMR Spectrum according to a structure-fragment algorithm. ACD/PNMR prediction algorithms are based on a large internal database that contains user-accessible data for 18,000 structures. Over 23,000 chemical shifts and 8,000 coupling constants are given for these structures, with original references, molecular formula, molecular weight, IUPAC name--which can be searched, viewed and printed. ;The calculated shift and coupling constant values are displayed in a tabular format. The PNMR display window enables you to see the fragments contributing to each calculated shift by interactively highlighting the tabular values with their corresponding nuclear center, as well as giving an atom-number designation.;The package includes ChemSketch with ACD/Dictionary and ACD/Tautomers for fast and easy drawing of complex structures and checking their tautomeric forms. ChemSketch is a full-featured chemical structure drawing tool that is very good for creating reports.