The tautomerism and isomerism of triazoles make the structure analysis of such compounds a difficult problem, and in the case of several nitrotriazoles a detailed structure assignment had been lacking up to now. Supported by selected compounds, a definite structure determination of ten nitrotriazoles was achieved by combined application of 15N NMR spectroscopy and increment calculations. This method also succeeded in cases where equilibria of tautomers were present. An evaluation of the shift data and coupling modes gave systematic references to structure and substituent influences.
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Licht et al. (1998) studied this question.