In the previous post, I investigated the mechanism of cyclopropanation of an enal using a benzylic chloride using a quantum chemistry based procedure. Here I take a look at the NMR spectra of the resulting cyclopropane products, with an evaluation of the original stereochemical assignments.[cite]10.1021/acs.jchemed.7b00566[/cite] Three products were identified, 4a-c (aryl=2,4-dinitro) with a fourth diastereomer undetected.

Symbiosis between computation and experiment is increasingly evident in pedagogic journals such as J. Chemical Education . Thus an example of original laboratory experiments[cite]10.1021/ed077p271[/cite],[cite]10.1021/ed078p1266[/cite] that later became twinned with a computational counterpart.[cite]10.1021/ed500398e[/cite] So when I spotted this recent lab experiment[cite]10.1021/acs.jchemed.7b00566[/cite] I felt another twinning