Structure Identification and Elucidation
Software to efficiently identify and resolve chemical structures
ACD/Labs offers powerful software tools that enable identification and elucidation using one or many analytical techniques. Advanced algorithms for structure elucidation,
sample deconvolution, and spectral matching, combined with the ability to leverage existing experimental data and knowledge, result in effective tools that reduce time spent
on compound identification.
ACD/Spectrus Workbooks are a portfolio of technique-specific software for spectroscopists, spectrometrists, and separations scientists that provide advanced structure characterization and verification tools for NMR, MS, LC/GC/UV/MS, IR, and other techniques.
Integrate ACD/NMR Predictors with ACD/Spectrus Processor for one-click structure verification directly within the data processing interface
Simplify routine structure verification with specialized software tools, designed for both individual synthetic chemists and large-scale integrated systems.
Designed for high-throughput environments, ACD/NMR Expert provides full automation capabilities for large batches of 1D and 2D NMR Data. The software automates the processing, analysis, verification, and databasing of NMR spectra and highlights samples that require extra addition through a convenient and interactive plate view.
A complete software package to help in the elucidation of unknown structures, providing results in an unbiased fashion. Either use experimental data to
carry out a full elucidation resulting in a list of all possible structures that fit the data; or enter a proposed structure and let the software predict the 1D and 2D NMR
spectra and propose alternative structures.
Facilitate metabolism studies with faster computer-assisted data analysis and extraction of metabolites, efficient data management, and powerful reporting
features. ACD/Metabolite ID Suite enhances your understanding of the overall metabolism process.