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2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-5-BENZYLAMINO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 955gIBfAlb3
InChI InChI=1S/C12H13N7S2/c1-20-11-15-9(13)19(18-11)12-17-16-10(21-12)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,16)(H2,13,15,18)
InChIKey NDQQDHUKHQTREK-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 EEC5KqRMNIl
Name 2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-5-BENZYLAMINO-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/c1-20-11-15-9(13)19(18-11)12-17-16-10(21-12)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,16)(H2,13,15,18)
InChIKey NDQQDHUKHQTREK-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 UWPB253