October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar

ACD/Combi NMR: ¹H and ¹³C Automated Verification

Brent Lefebvre, Tony Williams and Sergey Golotvin

Abstract

With the advent of combinatorial chemistry, the bottleneck has really become the chemist's ability to confirm the identity of a synthesized molecule. With the introduction of ACD/Combi NMR, this "Verification" of identity can be done in a quantitative and automated way. With the help of the NMR predictors, a spectrum-structure match is determined for each sample in a combinatorial plate of data. The results of this comparison can then be displayed on an easy to read plate display, in order to identify the mis-matched structures.

A brand new version of ACD/Combi NMR will be available this fall! With this release, the ability to do ¹³C verification as well as ¹H is possible in an automated manner. Some other significant improvements will be discussed here as well as a technical review of the entire verification process.

Download the presentation in MS PowerPoint (1229 kb ZIP file) or Adobe Acrobat format (1228 kb PDF file).

Relevant Products: Combi NMR, NMR Processor, NMR Manager