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5-AMINO-1-(2,4-DINITROPHENYL)-3-METHYLTHIO-1H-1,2,4-TRIAZOLE

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5-AMINO-1-(2,4-DINITROPHENYL)-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID 2o7w6bMUaPF
InChI InChI=1S/C9H8N6O4S/c1-20-9-11-8(10)13(12-9)6-3-2-5(14(16)17)4-7(6)15(18)19/h2-4H,1H3,(H2,10,11,12)
InChIKey XMNSJMNWLSLONZ-UHFFFAOYSA-N
Mol Weight 296.26 g/mol
Molecular Formula C9H8N6O4S
Exact Mass 296.032774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAOKBAVgNZr
Name 5-AMINO-1-(2,4-DINITROPHENYL)-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
Compound Number 8/4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N6O4S
InChI InChI=1S/C9H8N6O4S/c1-20-9-11-8(10)13(12-9)6-3-2-5(14(16)17)4-7(6)15(18)19/h2-4H,1H3,(H2,10,11,12)
InChIKey XMNSJMNWLSLONZ-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 296.260 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3024