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3-METHYLTHIO-1-(2-NITRO-4-CHLOROPHENYL)-5-(2-NITRO-4-CHLOROPHENYLIMINO)-2H-1,2,4-TRIAZOLE

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3-METHYLTHIO-1-(2-NITRO-4-CHLOROPHENYL)-5-(2-NITRO-4-CHLOROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID 98MLxa3v3B6
InChI InChI=1S/C15H10Cl2N6O4S/c1-28-15-19-14(18-10-4-2-8(16)6-12(10)22(24)25)21(20-15)11-5-3-9(17)7-13(11)23(26)27/h2-7H,1H3,(H,18,19,20)
InChIKey FXCCQWHDCNYSLR-UHFFFAOYSA-N
Mol Weight 441.25 g/mol
Molecular Formula C15H10Cl2N6O4S
Exact Mass 439.986129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrW36Jbd7lN
Name 3-METHYLTHIO-1-(2-NITRO-4-CHLOROPHENYL)-5-(2-NITRO-4-CHLOROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
Compound Number 11/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H10Cl2N6O4S
InChI InChI=1S/C15H10Cl2N6O4S/c1-28-15-19-14(18-10-4-2-8(16)6-12(10)22(24)25)21(20-15)11-5-3-9(17)7-13(11)23(26)27/h2-7H,1H3,(H,18,19,20)
InChIKey FXCCQWHDCNYSLR-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 441.248 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3042