March 16, 2011
by Arvin Moser, Team Manager, Application Scientists, ACD/Labs
An interpretation that is biased is not necessarily a bad thing; it can help speed up the work involved in an elucidation of an unknown. On the flipside, an incorrect interpretation based on a bias can really hamper an elucidation.
From the 1H -13C HMQC spectrum, the two correlations aligned with the carbon signal at 126 ppm indicates an initial assignment of a simple CH2 group. However, a second scenario is possible, that is, two CH groups where the two carbon signals coincide. Armed with this information, the chances of an unsuccessful elucidation are greatly reduced.
There is more to follow in a subsequent post. A special thank you goes to Rodri and Rajdip for their comments.