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3-METHYLTHIO-5-(2,4,6-TRINITRO-[1.2.4]-TRIAZOLO-[5.1-C]-[1.2.4]-BENZAMINO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 6muk9qMybAv
InChI InChI=1S/C9H7N7O6S/c1-23-9-11-8(12-13-9)10-7-5(15(19)20)2-4(14(17)18)3-6(7)16(21)22/h2-3H,1H3,(H2,10,11,12,13)
InChIKey ZBQAIUQBAHWSTP-UHFFFAOYSA-N
Mol Weight 341.26 g/mol
Molecular Formula C9H7N7O6S
Exact Mass 341.017852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFwVYWym3sU
Name 3-METHYLTHIO-5-(2,4,6-TRINITRO-[1.2.4]-TRIAZOLO-[5.1-C]-[1.2.4]-BENZAMINO)-1H-1,2,4-TRIAZOLE
Compound Number 10/ 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H7N7O6S
InChI InChI=1S/C9H7N7O6S/c1-23-9-11-8(12-13-9)10-7-5(15(19)20)2-4(14(17)18)3-6(7)16(21)22/h2-3H,1H3,(H2,10,11,12,13)
InChIKey ZBQAIUQBAHWSTP-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 341.258 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3040