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5-(2,6-DINITROPHENYLAMINO)-3-METHYLTHIO-1H-1,2,4-TRIAZOLE

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5-(2,6-DINITROPHENYLAMINO)-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID Dl3eS7cXBOW
InChI InChI=1S/C9H8N6O4S/c1-20-9-11-8(12-13-9)10-7-5(14(16)17)3-2-4-6(7)15(18)19/h2-4H,1H3,(H2,10,11,12,13)
InChIKey WADVJSGLUSEXOR-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 IB8ir04cbYj
Name 5-(2,6-DINITROPHENYLAMINO)-3-METHYLTHIO-1H-1,2,4-TRIAZOLE
Compound Number 10/8
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(12-13-9)10-7-5(14(16)17)3-2-4-6(7)15(18)19/h2-4H,1H3,(H2,10,11,12,13)
InChIKey WADVJSGLUSEXOR-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 UWMZ3038