Product category:
Chemical modelling software
News Release from: Advanced Chemistry Development | Subject: Structure Elucidator
Edited by the Laboratorytalk Editorial
Team on 19 September 2003
Automated structure elucidation
The time spent on NMR structure determination is now reduced from several days to hours or minutes by directly coupling reduced NMR spectrometer output to software
Advanced Chemistry Development, (ACD/Labs) and Jeol USA, announce the integration of Jeol's Delta NMR and ACD's Structure Elucidator software packages, resulting in the only complete system to combine data collection and structure elucidation for automatically determining molecular structures NMR structure determination of small molecules is one of the most important tools available to the synthetic chemist
This article was originally published on Laboratorytalk on 7 Aug 2003 at 8.00am (UK)
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NMR spectrometers automate data collection, processing, and presentation, but until now, the actual structure determination has been left to the chemist or an offline structure elucidation software package.
By directly coupling reduced NMR spectrometer output from Jeol's Delta software to Structure Elucidator, the time spent on NMR structure determination is now reduced from several days to hours or minutes, and the chemist is provided with a range of possible structures for a compound that might otherwise be overlooked.
Structure Elucidator has been built on the combined strength of ACD's NMR prediction and spectral data interpretation software.
Through a unique set of algorithms, Structure Elucidator enables scientists to determine the chemical structure of unknown compounds using data acquired from their NMR spectrometer or a combination of analytical devices.
Delta software, the worldwide standard for all Jeol NMR spectrometers, is the only NMR software to combine spectrometer control and data management into a single robust application and allow concurrent processing of multiple sets and simple, seamless operation.
Featured with Jeol's newest generation of high-resolution NMR spectrometers, the ECA and ECX series, Delta unifies NMR data acquisition, processing, visualisation, and output.
For greater flexibility, Delta operates in both Windows and Linux environments.
"With the advances that have been made in both Structure Elucidator and Delta, the tools existed to make this process a reality," said Brent Lefebvre, NMR product manager at ACD/Labs.
"You can now place samples in your instrument at night, and come in the next morning to solved structures.".
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