Solvent-independent determination of heteroatom protonation states from NMR spectra by differential deuterium isotope shifts
Literature Information
Publication Date
2019-11-11
DOI
10.1039/C9AN01364D
Impact Factor
4.616
Authors
Sebastian Tassoti, Martin Walenta, Alexander Pöcheim, Kathrin Buchberger, Olaf Kunert, Klaus Zangger
View Original
Abstract
The NMR-spectroscopy based structure elucidation of organic molecules containing heteroatoms is often obstructed by the difficulties in determining the heteroatom protonation states. Here we describe a simple but broadly applicable approach for the determination of the protonation states of heteroatoms. Differential deuterium isotope shifts observed upon the addition of small amounts of H2O or D2O to any solvent can be used to determine the protonation states of heteroatoms.
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Analyst
CiteScore:
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Recommended Compounds
![4-{[4-(Trifluoromethoxy)benzyl]oxy}benzonitrile structure](https://static.chemtradehub.com/structs/103/1036629-63-6-2172.webp "4-{[4-(Trifluoromethoxy)benzyl]oxy}benzonitrile structure")
4-{[4-(Trifluoromethoxy)benzyl]oxy}benzonitrile
CAS Number:
1036629-63-6
Molecular Formula:
C15H10F3NO2
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