Method for assigning structure of 1,2,3-triazoles.
1,4-Disubstituted-1H-1,2,3-triazoles 1 can easily be distinguished from the isomeric 1,5-disubstituted-1H-1,2,3-triazoles 2 by simple one-dimensional (13)C NMR spectroscopy using gated decoupling. The C(5) signal of 1 appears at δ ∼120 ppm, while the C(4) signal of 2 appears at δ ∼133 ppm. Computational studies also predict the upfield shift of C(5) of 1 relative to C(4) in 2.
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States. creary.1@nd.edu
Xavier
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Creary
Andrew
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Anderson
Carl
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Brophy
Frances
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Crowell
Zachary
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Funk