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5-amino-N-methyl-3-(methylthio)-N-[(4-nitrobenzylidene)amino]-1,2,4-triazole-1-carbothioamide
SpectraBase Compound ID HHwyaRlM0PV
InChI InChI=1S/C12H13N7O2S2/c1-17(12(22)18-10(13)15-11(16-18)23-2)14-7-8-3-5-9(6-4-8)19(20)21/h3-7H,1-2H3,(H2,13,15,16)/b14-7+
InChIKey WRQYTLWUZVPQHP-VGOFMYFVSA-N
Mol Weight 351.4 g/mol
Molecular Formula C12H13N7O2S2
Exact Mass 351.057215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNjGUW2vYd2
Name 5-amino-N-methyl-3-(methylthio)-N-[(4-nitrobenzylidene)amino]-1,2,4-triazole-1-carbothioamide
Compound Number 19/18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N7O2S2
InChI InChI=1S/C12H13N7O2S2/c1-17(12(22)18-10(13)15-11(16-18)23-2)14-7-8-3-5-9(6-4-8)19(20)21/h3-7H,1-2H3,(H2,13,15,16)/b14-7+
InChIKey WRQYTLWUZVPQHP-VGOFMYFVSA-N
Literature Reference Author J.BARKOCZY,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,30,1009(1993)
Literature Reference DOI 10.1002/jhet.5570300429
Molecular Weight 351.401 g/mol
Solvent CDCl3
Source File Reference UWGE819