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Title

Structure of the products of condensation of hydroxylamine with trifluoromethyl-β-diketones: Assignments of the diastereotopic protons of the 4-methylene group in 5-hydroxy-5-trifluoromethyl-Δ2- isoxazolines

AuthorsSanz, D.; Claramunt, Rosa M.; Singh, S. P.; Kumar, V.; Aggarwal, R.; Elguero, José ; Alkorta, Ibon
Issue Date2005
PublisherJohn Wiley & Sons
CitationMagnetic Resonance in Chemistry 43: 1040- 1043 (2005)
AbstractThe combined use of 1H NMR spectroscopy with theoretical calculations of chemical shifts (GIAO) and coupling constants (B3LYP/6-311++G**) of a 5-hydroxy-5-trifluoromethyl- Δ2-isoxazoline has enabled solving the problem of the assignments of the diastereotopic protons in this compound. This result has been extended to 5-hydroxy-5-trifluoromethyl-Δ2-pyrazolines and the corresponding 5-trichloromethyl derivatives. Copyright © 2005 John Wiley & Sons, Ltd.
URIhttp://hdl.handle.net/10261/75905
DOI10.1002/mrc.1676
Identifiersdoi: 10.1002/mrc.1676
issn: 0749-1581
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