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5-(2,6-DINITRO-4-TRIFLUOROMETHYLPHENYLAMINO)-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID KkCqAaOoxlj
InChI InChI=1S/C10H7F3N6O4S/c1-24-9-15-8(16-17-9)14-7-5(18(20)21)2-4(10(11,12)13)3-6(7)19(22)23/h2-3H,1H3,(H2,14,15,16,17)
InChIKey WGHRWHYXXZHRPL-UHFFFAOYSA-N
Mol Weight 364.26 g/mol
Molecular Formula C10H7F3N6O4S
Exact Mass 364.020158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2VHNqJTa2v
Name 5-(2,6-DINITRO-4-TRIFLUOROMETHYLPHENYLAMINO)-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
Compound Number 10/9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7F3N6O4S
InChI InChI=1S/C10H7F3N6O4S/c1-24-9-15-8(16-17-9)14-7-5(18(20)21)2-4(10(11,12)13)3-6(7)19(22)23/h2-3H,1H3,(H2,14,15,16,17)
InChIKey WGHRWHYXXZHRPL-UHFFFAOYSA-N
Literature Reference Author P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,32,1359(1995)
Literature Reference DOI 10.1002/jhet.5570320443
Molecular Weight 364.259 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3039