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3-[HYDROXY-(4H-1,2,4-TRIAZOL-4-YL-AMINO)-METHYL]-BENZONITRILE
SpectraBase Compound ID 8FCgXCmnd3e
InChI InChI=1S/C10H9N5O/c11-5-8-2-1-3-9(4-8)10(16)14-15-6-12-13-7-15/h1-4,6-7,10,14,16H
InChIKey UFFZJOLWCBNFJJ-UHFFFAOYSA-N
Mol Weight 215.22 g/mol
Molecular Formula C10H9N5O
Exact Mass 215.08071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JImitteZ1yJ
Name 3-[HYDROXY-(4H-1,2,4-TRIAZOL-4-YL-AMINO)-METHYL]-BENZONITRILE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9N5O
InChI InChI=1S/C10H9N5O/c11-5-8-2-1-3-9(4-8)10(16)14-15-6-12-13-7-15/h1-4,6-7,10,14,16H
InChIKey UFFZJOLWCBNFJJ-UHFFFAOYSA-N
Literature Reference Author A.KWIECIEN,M.BARYS,Z.CIUNIK
Literature Reference Citation MOLECULES,19,11160(2014)
Literature Reference DOI 10.3390/molecules190811160
Molecular Weight 215.214 g/mol
Solvent DMSO-D6
Source File Reference UWIR15035