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5-AMINO-2-(2-CHLORO-3-CYANO-4-NITROPHENYL)-3-METHYLTHIO-2H-1,2,4-TRIAZOLE

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5-AMINO-2-(2-CHLORO-3-CYANO-4-NITROPHENYL)-3-METHYLTHIO-2H-1,2,4-TRIAZOLE
SpectraBase Compound ID IQ0e0335Sfr
InChI InChI=1S/C10H7ClN6O2S/c1-20-10-14-9(13)15-16(10)7-3-2-6(17(18)19)5(4-12)8(7)11/h2-3H,1H3,(H2,13,15)
InChIKey XUPVNRYSOZDTDC-UHFFFAOYSA-N
Mol Weight 310.72 g/mol
Molecular Formula C10H7ClN6O2S
Exact Mass 310.003972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXb6g42dw2o
Name 5-AMINO-2-(2-CHLORO-3-CYANO-4-NITROPHENYL)-3-METHYLTHIO-2H-1,2,4-TRIAZOLE
Compound Number 9/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7ClN6O2S
InChI InChI=1S/C10H7ClN6O2S/c1-20-10-14-9(13)15-16(10)7-3-2-6(17(18)19)5(4-12)8(7)11/h2-3H,1H3,(H2,13,15)
InChIKey XUPVNRYSOZDTDC-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 310.718 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3037