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isotopomers
Isotopomers or isotopic isomers are isomers with isotopic atoms, having the same number of each isotope of each element but differing in their positions. The result is that the molecules are either constitutional isomers or stereoisomers solely based on isotopic location.
For example, CH3CHDCH3 and CH3CH2CH2D are a pair of constitutional isotopomers of propane. (''R'')- and (''S'')-CH3CHDOH or (''Z'')- and (''E'')-CH3CH=CHD are examples of isotopic stereoisomers of ethanol and of propene, respectively.
==13C-NMR==
In nuclear magnetic resonance spectroscopy, the highly abundant 12C isotope does not produce any signal whereas the comparably rare 13C isotope is easily detected. As a result, carbon isotopomers of a compound can be studied by carbon-13 NMR to learn about the different carbon atoms in the structure. Each individual structure that contains a single 13C isotope provides data about the structure in its immediate vicinity. A large sample of a chemical contains a mixture of all such isotopomers, so a single spectrum of the sample contains data about all carbons in it. Nearly all of the carbon in normal samples of carbon-based chemicals is 12C, with only about 1% abundance of 13C, so there is only about a 1% abundance of the total of the singly-substituted isotopologues, and exponentially smaller amounts of structures having two or more 13C in them. The rare case where two adjacent carbon atoms in a single structure are both 13C causes a detectable coupling effect between them as well as signals for each one itself. The INADEQUATE correlation experiment uses this effect to provide evidence for which carbon atoms in a structure are attached to each other, which can be useful for determining the actual structure of an unknown chemical.
抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』
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