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Title

Study of the Structure of 1-Hydroxymethylindazole and 1-Hydroxymethylbenzotriazole by X-ray crystallography, Multinuclear NMR in Solution and DFT Calculations

AuthorsAlkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Jagerovic, Nadine CSIC ORCID ; Fruchier, Alain; Yap, G. P. A.
Issue Date2004
PublisherJohn Wiley & Sons
CitationJournal of Heterocyclic Chemistry 41: 285- 289 (2004)
Abstract1-Hydroxymethylindazole and 1-hydroxymethylbenzotriazole have been studied in solution by 1H, 13C and 15N NMR spectroscopy and the X-ray structure of the second compound determined. DFT and GIAO calculations have been used to discuss geometries, energies (comparatively with 2-substituted isomers) and NMR chemical shifts.
URIhttp://hdl.handle.net/10261/87472
DOI10.1002/jhet.5570410223
ISSN0022-152X
E-ISSN1943-5193
Appears in Collections:(IQM) Artículos




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