October 18, 2012
by Arvin Moser, Team Manager, Application Scientists, ACD/Labs
With any experimental data, producing a list of scenarios that are consistent with the data can help guide an elucidator through the problem while ensuring nothing gets overlooked.
For an unknown compound, the 1H -13C HMQC spectrum shows a CH group with a correlation at 7.0 and 113.0 ppm. Is the carbon hybridization an sp2 or an sp3? Note the F1 domain is a 13C projection.
One Reply to “Logic Puzzle #36: Chemical Shifts and Carbon Hybridization States”
My guess is sp2. It’s probably some electron-rich aromatic position. It’s just the broad carbon peak that makes me feel uneasy.