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2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-5-PHENYLAMINO-4-METHYL-4,5-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID JurN5Rn6paZ
InChI InChI=1S/C12H13N7S2/c1-18-11(14-8-6-4-3-5-7-8)21-12(17-18)19-9(13)15-10(16-19)20-2/h3-7H,1-2H3,(H2,13,15,16)/b14-11+
InChIKey GUPBGKFHJQLKEV-SDNWHVSQSA-N
Mol Weight 319.41 g/mol
Molecular Formula C12H13N7S2
Exact Mass 319.067386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUL9MdiOVDI
Name 2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-5-PHENYLAMINO-4-METHYL-4,5-DIHYDRO-1,3,4-THIADIAZOLE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N7S2
InChI InChI=1S/C12H13N7S2/c1-18-11(14-8-6-4-3-5-7-8)21-12(17-18)19-9(13)15-10(16-19)20-2/h3-7H,1-2H3,(H2,13,15,16)/b14-11+
InChIKey GUPBGKFHJQLKEV-SDNWHVSQSA-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 319.402 g/mol
Solvent DMSO-D6
Source File Reference UWPB252