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2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-5-BENZYLTHIO-1,3,4-THIADIAZOLE
SpectraBase Compound ID BjpcvXKNmrl
InChI InChI=1S/C12H12N6S2/c1-19-11-14-10(13)18(17-11)12-16-15-9(20-12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,17)
InChIKey ZNXGBFQADRKZFV-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C12H12N6S2
Exact Mass 304.056487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eu6EkdK3QBD
Name 2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-5-BENZYLTHIO-1,3,4-THIADIAZOLE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N6S2
InChI InChI=1S/C12H12N6S2/c1-19-11-14-10(13)18(17-11)12-16-15-9(20-12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,17)
InChIKey ZNXGBFQADRKZFV-UHFFFAOYSA-N
Literature Reference Author J.REITER,J.BARKOCZY
Literature Reference Citation J.HETCYCL.CHEM.,30,333(1993)
Literature Reference DOI 10.1002/jhet.5570300207
Molecular Weight 304.387 g/mol
Solvent CDCl3
Source File Reference UWPB262