Multinuclear NMR spectra and GIAO/DFT calculations of N-benzylazoles and N-benzylbenzazoles

Wolfgang Holzer, Laura Castoldi, Viktoriya Kyselova, Dionisia Sanz, Rosa M. Claramunt (Corresponding author), M. Carmen Torralba, Ibon Alkorta (Corresponding author), José Elguero

    Publications: Contribution to journalArticlePeer Reviewed

    Original languageEnglish
    Pages (from-to)1729-1735
    Number of pages7
    JournalStructural Chemistry
    Volume30
    Issue number5
    DOIs
    Publication statusPublished - 1 Oct 2019

    Austrian Fields of Science 2012

    • 301207 Pharmaceutical chemistry

    Keywords

    • Carbon-13 NMR
    • GIAO calculations
    • N-benzylazoles
    • Nitrogen-15 NMR
    • Proton NMR
    • X-ray crystal structure
    • MOLECULAR-ORBITAL METHODS
    • ALKYLATION
    • DEARYLATION
    • GENERATION
    • PENTAZOLE
    • TETRAZOLE
    • EFFICIENT

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