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3,5-DIFLUORO-4-[(E)-(4H-1,2,4-TRIAZOL-4-YL-IMINO)-METHYL]-BENZONITRILE
SpectraBase Compound ID KTD6hd2whmY
InChI InChI=1S/C10H5F2N5/c11-9-1-7(3-13)2-10(12)8(9)4-16-17-5-14-15-6-17/h1-2,4-6H/b16-4+
InChIKey ACYKAJHYPFFYCG-AYSLTRBKSA-N
Mol Weight 233.18 g/mol
Molecular Formula C10H5F2N5
Exact Mass 233.051302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Js2sYk9FclL
Name 3,5-DIFLUORO-4-[(E)-(4H-1,2,4-TRIAZOL-4-YL-IMINO)-METHYL]-BENZONITRILE
Compound Number 4S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H5F2N5
InChI InChI=1S/C10H5F2N5/c11-9-1-7(3-13)2-10(12)8(9)4-16-17-5-14-15-6-17/h1-2,4-6H/b16-4+
InChIKey ACYKAJHYPFFYCG-AYSLTRBKSA-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 233.180 g/mol
Solvent DMSO-D6
Source File Reference UWIR15040