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3-METHYLTHIO-1-(2,6-DINITROPHENYL)-5-(2,6-DINITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE

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3-METHYLTHIO-1-(2,6-DINITROPHENYL)-5-(2,6-DINITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID C0tb4eyyvK6
InChI InChI=1S/C15H10N8O8S/c1-32-15-17-14(16-12-8(20(24)25)4-2-5-9(12)21(26)27)19(18-15)13-10(22(28)29)6-3-7-11(13)23(30)31/h2-7H,1H3,(H,16,17,18)
InChIKey DDOGHLPDXNADJA-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 4VlvuSm8QdO
Name 3-METHYLTHIO-1-(2,6-DINITROPHENYL)-5-(2,6-DINITROPHENYLIMINO)-2H-1,2,4-TRIAZOLE
Compound Number 11/8
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(16-12-8(20(24)25)4-2-5-9(12)21(26)27)19(18-15)13-10(22(28)29)6-3-7-11(13)23(30)31/h2-7H,1H3,(H,16,17,18)
InChIKey DDOGHLPDXNADJA-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 UWMZ3047