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3,5-DIFLUORO-4-[HYDROXY-(4H-1,2,4-TRIAZOL-4-YL-AMINO)-METHYL]-BENZONITRILE
SpectraBase Compound ID FYQRqe4alR
InChI InChI=1S/C10H7F2N5O/c11-7-1-6(3-13)2-8(12)9(7)10(18)16-17-4-14-15-5-17/h1-2,4-5,10,16,18H
InChIKey HFOOPPBDVOOJGT-UHFFFAOYSA-N
Mol Weight 251.2 g/mol
Molecular Formula C10H7F2N5O
Exact Mass 251.061866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbkRNsjhREV
Name 3,5-DIFLUORO-4-[HYDROXY-(4H-1,2,4-TRIAZOL-4-YL-AMINO)-METHYL]-BENZONITRILE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7F2N5O
InChI InChI=1S/C10H7F2N5O/c11-7-1-6(3-13)2-8(12)9(7)10(18)16-17-4-14-15-5-17/h1-2,4-5,10,16,18H
InChIKey HFOOPPBDVOOJGT-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 251.195 g/mol
Solvent DMSO-D6
Source File Reference UWIR15039