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ACD/Labs Blog

Arvin Moser
A 1H-1H COSY dataset provides information on coupled spin systems. A coupled spin system does not necessarily imply that the protons are bonded to only carbon atoms . An example of an exchangeable proton (OH) coupled to a proton from a CH group is shown below. Three spectral datasets, 1H NMR, HMQC and a COSY-45...

Arvin Moser
A very useful bit of information on the proton count comes from integrating a 1H NMR spectrum. However, overlapping resonances can make integration less than straightforward and in some cases ambiguous. Integration involves the following decisions to be made by the elucidator: which resonances to integrate, where the integral begins and ends, and what the...

Arvin Moser
A biased elucidation is an elucidation where the chemist makes certain assumptions about the data at hand based on a previous experience(s) and not deviating from it. Depending on the elucidation, it can be a good thing or a very bad thing. As a good thing, it can speed up the time spent on an...

Arvin Moser
Depending on the experimental conditions, signals from exchangeable protons such as NH and OH can be present on a 1H NMR spectrum. A key to interpreting a 1H NMR is distinguishing between CHn protons (where n = 1, 2 or 3) and exchangeable protons. Acquiring an 1H-13C 2D NMR experiment can assist in this process,...