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3-METHYLTHIO-1-(2,4-DINITROPHENYL)-5-(2,4-DINITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE

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3-METHYLTHIO-1-(2,4-DINITROPHENYL)-5-(2,4-DINITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID 9Cvr1c1qO39
InChI InChI=1S/C15H10N8O8S/c1-32-15-17-14(16-10-4-2-8(20(24)25)6-12(10)22(28)29)19(18-15)11-5-3-9(21(26)27)7-13(11)23(30)31/h2-7H,1H3,(H,16,17,18)
InChIKey ZBCNTGHELQBXMH-UHFFFAOYSA-N
Mol Weight 462.35 g/mol
Molecular Formula C15H10N8O8S
Exact Mass 462.03423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJ4rO8jPlWK
Name 3-METHYLTHIO-1-(2,4-DINITROPHENYL)-5-(2,4-DINITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
Compound Number 11/4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H10N8O8S
InChI InChI=1S/C15H10N8O8S/c1-32-15-17-14(16-10-4-2-8(20(24)25)6-12(10)22(28)29)19(18-15)11-5-3-9(21(26)27)7-13(11)23(30)31/h2-7H,1H3,(H,16,17,18)
InChIKey ZBCNTGHELQBXMH-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 462.353 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3044