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2-[(E)-(4H-1,2,4-TRIAZOL-4-YL-IMINO)-METHYL]-BENZONITRILE
SpectraBase Compound ID 5Zsb5PHf9k3
InChI InChI=1S/C10H7N5/c11-5-9-3-1-2-4-10(9)6-14-15-7-12-13-8-15/h1-4,6-8H/b14-6+
InChIKey CRTKEGAHXINQAO-MKMNVTDBSA-N
Mol Weight 197.2 g/mol
Molecular Formula C10H7N5
Exact Mass 197.070145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANfY73sXkw2
Name 2-[(E)-(4H-1,2,4-TRIAZOL-4-YL-IMINO)-METHYL]-BENZONITRILE
Compound Number 1S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7N5
InChI InChI=1S/C10H7N5/c11-5-9-3-1-2-4-10(9)6-14-15-7-12-13-8-15/h1-4,6-8H/b14-6+
InChIKey CRTKEGAHXINQAO-MKMNVTDBSA-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 197.199 g/mol
Solvent DMSO-D6
Source File Reference UWIR15034