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2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-5-(N-PHENYL-N-METHYL)-AMINO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 1Vf3DmPLdGs
InChI InChI=1S/C12H13N7S2/c1-18(8-6-4-3-5-7-8)11-15-16-12(21-11)19-9(13)14-10(17-19)20-2/h3-7H,1-2H3,(H2,13,14,17)
InChIKey MPFBGVNZHWZNIU-UHFFFAOYSA-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 8ilL1zCcer5
Name 2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-5-(N-PHENYL-N-METHYL)-AMINO-1,3,4-THIADIAZOLE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N7S2
InChI InChI=1S/C12H13N7S2/c1-18(8-6-4-3-5-7-8)11-15-16-12(21-11)19-9(13)14-10(17-19)20-2/h3-7H,1-2H3,(H2,13,14,17)
InChIKey MPFBGVNZHWZNIU-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 319.402 g/mol
Solvent DMSO-D6
Source File Reference UWPB258