4.7 Article

Method for Assigning Structure of 1,2,3-Triazoles

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JOURNAL OF ORGANIC CHEMISTRY
卷 77, 期 19, 页码 8756-8761

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AMER CHEMICAL SOC
DOI: 10.1021/jo301265t

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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 C-13 NMR spectroscopy using gated decoupling. The C-5 signal of 1 appears at delta similar to 120 ppm, while the C-4 signal of 2 appears at delta similar to 133 ppm. Computational studies also predict the upfield shift of C-5 of 1 relative to C-4 in 2.

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