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3-METHYLTHIO-1-(2,3-DICHLORO-6-NITROPHENYL)-5-(2,3-DICHLORO-6-NITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID 935PMWLeO1o
InChI InChI=1S/C15H8Cl4N6O4S/c1-30-15-21-14(20-12-8(24(26)27)4-2-6(16)10(12)18)23(22-15)13-9(25(28)29)5-3-7(17)11(13)19/h2-5H,1H3,(H,20,21,22)
InChIKey NMIQTSCJGHLRNK-UHFFFAOYSA-N
Mol Weight 510.1 g/mol
Molecular Formula C15H8Cl4N6O4S
Exact Mass 507.908185 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3csFjVleGOI
Name 3-METHYLTHIO-1-(2,3-DICHLORO-6-NITROPHENYL)-5-(2,3-DICHLORO-6-NITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
Compound Number 11/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H8Cl4N6O4S
InChI InChI=1S/C15H8Cl4N6O4S/c1-30-15-21-14(20-12-8(24(26)27)4-2-6(16)10(12)18)23(22-15)13-9(25(28)29)5-3-7(17)11(13)19/h2-5H,1H3,(H,20,21,22)
InChIKey NMIQTSCJGHLRNK-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 510.138 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3045