ACD/2D NMR Expert With ACD/2D NMR Expert you can automate standard processing, analysis, verification, and databasing of 1D and 2D NMR data for many spectra at once. It will also automatically evaluate the correspondence between chemical structures and their respective 1D and 2D NMR data sets for large batches of compounds, with user-defined thresholds for “incorrect”, “ambiguous”, and “correct” matches between experimental and predicted spectra. Reaction progress can be monitored using Quanalyst, which compares and measures nearly all spectral attributes, including integral area, multiplet coupling patterns, peak locations, and peaks/multiplet areas from overlapping components. Database records for individual wells can be browsed by clicking on the interactive well-plate diagram.
Features of the ACD/2D NMR Expert software: • Automated high-throughput processing, analysis, and databasing • Database spectra, chemical structures, and user data for up to 382 well-plates at a time • Combined verification-collective analysis of 1D and 2D NMR data for structure verification • Monitor reaction progress by calculating reagent conversion • Create reports including spectra, structures, data tables, and plate graphics
Benefits of the ACD/2D NMR Expert software: • Reduce the time spent on manual evaluation of large NMR datasets • Automatically process and store 1D and 2D NMR data with associated chemical structures, customizable user data, and spectrum parameters • Automatically evaluate the correspondence of the proposed chemical structure with the 1D and 2D NMR data