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ACD/Labs Blog

Arvin Moser
Here is a lesson I learnt over time while working on small molecules—my Elucidation Evolution. Thinking back to when I started doing elucidations of unknowns, my mindset was to collect loads of data (NMR, MS, IR, etc.) whether I needed it or not. Initially inexperienced, I was extracting bits and pieces of information from various...

Arvin Moser
I got some great comments from Tony and Gary on the “Dealing with a Mixture…” post that I decided to do a follow-up post. http://acdlabs.typepad.com/elucidation/2008/02/dealing-with-a.html In my lab days, I would routinely workup a newly acquired 1H NMR for an unknown sample prior to acquiring a 2D NMR dataset. One of my goals was to examine...

Arvin Moser
One of the hardest parts of interpreting an NMR dataset is separating peaks from a mixture of compounds. To illustrate this point, below are the aromatic regions of two 75 MHz 13C NMR run on a mixture of methylbenzene and ethylbenzene in CDCl3. If the mixture exists at an approximate 1:1 ratio (top figure), then...