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3-METHYLTHIO-1-(2-CHLORO-3-CYANO-4-NITROPHENYL)-5-(2-CHLORO-3-CYANO-4-NITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE

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3-METHYLTHIO-1-(2-CHLORO-3-CYANO-4-NITROPHENYL)-5-(2-CHLORO-3-CYANO-4-NITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID 8Q5ijjjlfFl
InChI InChI=1S/C17H8Cl2N8O4S/c1-32-17-23-16(22-10-2-3-11(26(28)29)8(6-20)14(10)18)25(24-17)13-5-4-12(27(30)31)9(7-21)15(13)19/h2-5H,1H3,(H,22,23,24)
InChIKey NGMATOSBULKFBT-UHFFFAOYSA-N
Mol Weight 491.27 g/mol
Molecular Formula C17H8Cl2N8O4S
Exact Mass 489.976627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5Qrh3ToiYC
Name 3-METHYLTHIO-1-(2-CHLORO-3-CYANO-4-NITROPHENYL)-5-(2-CHLORO-3-CYANO-4-NITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
Compound Number 11/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H8Cl2N8O4S
InChI InChI=1S/C17H8Cl2N8O4S/c1-32-17-23-16(22-10-2-3-11(26(28)29)8(6-20)14(10)18)25(24-17)13-5-4-12(27(30)31)9(7-21)15(13)19/h2-5H,1H3,(H,22,23,24)
InChIKey NGMATOSBULKFBT-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 491.268 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3046