September 12, 2004, ACD/Labs SMASH 2004 Seminar

The Chronicles of an Elucidator Rookie: What You Need to Know to Succeed with ACD/Structure Elucidator

Abstract

ACD/Lab's Structure Elucidator is a very powerful tool for the determination of an unknown's molecular structure. But as with any new powerful tool, new users should know that there are several items to consider prior to using it on their first real unknown. This presentation will cover the following topics:

• Why practice with a known compound first?
• What to expect when the program has insufficient or incorrect NMR data?
• What problems exist with symmetric molecules?
• How to compare the proposed and generated structures with the experimental data.
• How to use molecular connectivity diagrams to your advantage.
• How to use CSB Generator options.

This presentation will also address other issues that will save the new user frustration later.

Download the presentation in MS PowerPoint (4.44 Mb ZIP file) or Adobe Acrobat format (1.66 Mb PDF file).

Relevant Product: Structure Elucidator

Relevant Solution: Structure Identification