September 12, 2006, ACD/Labs SMASH 2006 Seminar, Burlington, VT, USA

Chemist Friendly NMR: A New Way of Processing and Predicting Spectra

Ryan Sasaki

Abstract

With the emergence of open-access NMR instruments in the majority of industrial and academic labs over the last number of years, much onus has fallen upon the chemist for the handling of their NMR data. In many open-access environments, analytical experts have taken on more of a support role; helping chemists on only the challenging problems and leaving the routine analysis in the chemists' hands. As a result, chemists are processing, analyzing, and interpreting their own NMR spectra more than ever. With this shift in the industry, it is necessary to consider the chemists' specific needs in our ongoing software development. This involves improvements in ease-of-use for the casual user, and the addition of new features that are relevant to chemists.

In this presentation, we will highlight the major developments in version 10 of our 1D and 2D NMR processing tools that will help chemists efficiently handle their NMR data in an open-access environment. In addition, we will also highlight the latest developments in the integration between our processing and prediction software. The ultimate goal behind integrating our NMR processors with predictors, is to provide chemists with an easy-to-use application that can help them make better and faster decisions when confirming their structures by NMR, thereby reducing the time spent on spectral interpretation.

Download the presentation in MS PowerPoint (2.37 Mb ZIP file) or Adobe Acrobat format (1.78 Mb PDF file).