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2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-6-5-AMINO-3-METHYLTHIO-2H-1,2,4-TRIAZOL-2-YL)-3-NITROCHLOROBENZENE
SpectraBase Compound ID BQLLdx7sDlO
InChI InChI=1S/C12H12ClN9O2S2/c1-25-11-17-10(15)21(19-11)8-6(22(23)24)4-3-5(7(8)13)20-12(26-2)16-9(14)18-20/h3-4H,1-2H3,(H2,14,18)(H2,15,17,19)
InChIKey BYOJZCYXYBZUCT-UHFFFAOYSA-N
Mol Weight 413.86 g/mol
Molecular Formula C12H12ClN9O2S2
Exact Mass 413.024391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HKLY0SEXbA
Name 2-(5-AMINO-3-METHYLTHIO-1H-1,2,4-TRIAZOL-1-YL)-6-5-AMINO-3-METHYLTHIO-2H-1,2,4-TRIAZOL-2-YL)-3-NITROCHLOROBENZENE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12ClN9O2S2
InChI InChI=1S/C12H12ClN9O2S2/c1-25-11-17-10(15)21(19-11)8-6(22(23)24)4-3-5(7(8)13)20-12(26-2)16-9(14)18-20/h3-4H,1-2H3,(H2,14,18)(H2,15,17,19)
InChIKey BYOJZCYXYBZUCT-UHFFFAOYSA-N
Literature Reference Author P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,32,1359(1995)
Literature Reference DOI 10.1002/jhet.5570320443
Molecular Weight 413.859 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3053