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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.

Structure Characterization with Spectrus Workbooks

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.

Structure Verification with ACD/NMR Predictors

Integrate ACD/NMR Predictors with ACD/Spectrus Processor for one-click structure verification directly within the data processing interface

Automated Structure Verification

Simplify routine structure verification with specialized software tools, designed for both individual synthetic chemists and large-scale integrated systems.

ACD/Structure Elucidator Suite

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.

Metabolite ID Solution (MetaSense)

The software solution for efficient, comprehensive metabolite identification. Automatically generate and share biotransformation maps—with connected spectra, chromatograms, and structures—from LC/MS data analysis