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Elucidating for Isomers (UPDATED)

June 26, 2017
by Arvin Moser, Team Manager, Application Scientists, ACD/Labs

Originally published in 2008, the underlying essence of a structure elucidation process is to structurally distinguish an unknown from a set of possible isomers. This is evident by the number of possible isomers for a given molecular formula.

The chart below divides isomers into three groups: Structural/Constitutional/Regio, Spin and Stereo/Spatial isomers. Wikipedia links are included for further reading into the different isomer classifications.

IsomersChart_Apr32018

Note: some of the classifications may overlap.

http://en.wikipedia.org/wiki/Structural_isomerism

http://en.wikipedia.org/wiki/Isomer

http://acdlabs.typepad.com/elucidation/2008/02/why-collect-nmr.html

http://en.wikipedia.org/wiki/Functional_group

http://en.wikipedia.org/wiki/Tautomer

http://en.wikipedia.org/wiki/Cis-trans_isomerism

http://en.wikipedia.org/wiki/Enantiomer

http://en.wikipedia.org/wiki/Diastereomer

http://en.wikipedia.org/wiki/Electromerism

https://en.wikipedia.org/wiki/Cyclohexane_conformation

http://en.wikipedia.org/wiki/Conformational_isomerism

http://en.wikipedia.org/wiki/Coordination_compound

http://en.wikipedia.org/wiki/Topoisomer

http://en.wikipedia.org/wiki/Spin_isomers_of_hydrogen

https://en.wikipedia.org/wiki/Topicity

https://en.wikipedia.org/wiki/Tacticity

http://goldbook.iupac.org/list_sf_general.html

https://en.wikipedia.org/wiki/Epimer

https://en.wikipedia.org/wiki/Isobar_(nuclide)

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