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3-METHYLTHIO-2-(2-NITRO-4-TRIFLUOROMETHYLPHENYL)-5-(2-NITRO-4-TRIFLUOROMETHYLPHENYLIMINO)-1H-1,2,4-TRIAZOLE

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3-METHYLTHIO-2-(2-NITRO-4-TRIFLUOROMETHYLPHENYL)-5-(2-NITRO-4-TRIFLUOROMETHYLPHENYLIMINO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 5oYkmkiv5D8
InChI InChI=1S/C17H10F6N6O4S/c1-34-15-25-14(24-10-4-2-8(16(18,19)20)6-12(10)28(30)31)26-27(15)11-5-3-9(17(21,22)23)7-13(11)29(32)33/h2-7H,1H3,(H,24,26)
InChIKey IUSKISVWIXBCKI-UHFFFAOYSA-N
Mol Weight 508.36 g/mol
Molecular Formula C17H10F6N6O4S
Exact Mass 508.038843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mGKLXupcDE
Name 3-METHYLTHIO-2-(2-NITRO-4-TRIFLUOROMETHYLPHENYL)-5-(2-NITRO-4-TRIFLUOROMETHYLPHENYLIMINO)-1H-1,2,4-TRIAZOLE
Compound Number 12/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H10F6N6O4S
InChI InChI=1S/C17H10F6N6O4S/c1-34-15-25-14(24-10-4-2-8(16(18,19)20)6-12(10)28(30)31)26-27(15)11-5-3-9(17(21,22)23)7-13(11)29(32)33/h2-7H,1H3,(H,24,26)
InChIKey IUSKISVWIXBCKI-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 508.355 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3056