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What's New in ACD/Structure Elucidator Suite

Version 2021

Version 2021 of Structure Elucidator Suite adds new features, including determination of molecular configuration using residual dipolar couplings and new parameters to help with structure verification. It also improves existing functions. Read below for details, and contact us for help upgrading your software.

Table of Contents

New Features

Use Residual Dipolar Couplings (RDCs) for Determination of Molecular Configuration

Identify the Best Structure During Structure Verification with New Metrics and Parameters

Define Co-existing Rotamers in NMR Spectra

Unfold Folded 2D Spectra to Get the True Position of Peaks

Improved Features

Automated Evaluation of Singly Charged Nitrogen Salts

AutoMCDs Include 2-Bond C-F Connections

Structure Aware Analysis in 2D Spectra of P- and F-Containing Compounds

Control of Alignment Options of Spectra in Batch ASV

Integrate All Peaks in Series of NMR Data

Refinements in Database Search Capabilities

More Data Types Can Be Included in Database Records
Improved Search for Data Range Values and Molecules with Chiral Centers

Server Side Improvements

Improved Data Import

Features for Other Techniques

You can process data from other analytical techniques in Structure Elucidator Suite. We've improved features for these techniques as well:

Previous Software Versions