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Acetic acid, 2-(3,4-dicyano-6-nitrophenyl)-2-phenylthio-, methyl ester
SpectraBase Compound ID LOJSdGdnuMI
InChI InChI=1S/C17H11N3O4S/c1-24-17(21)16(25-13-5-3-2-4-6-13)14-7-11(9-18)12(10-19)8-15(14)20(22)23/h2-8,16H,1H3
InChIKey SEROQDOYIDAGAR-UHFFFAOYSA-N
Mol Weight 353.35 g/mol
Molecular Formula C17H11N3O4S
Exact Mass 353.047027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xBTcM2HkAU
Name Acetic acid, 2-(3,4-dicyano-6-nitrophenyl)-2-phenylthio-, methyl ester
Alternate Name(s) 2-(4,5-dicyano-2-nitro-phenyl)-2-(phenylthio)acetic acid methyl ester Methyl (4,5-dicyano-2-nitrophenyl)(phenylsulfanyl)acetate Methyl 2-(4,5-dicyano-2-nitro-phenyl)-2-phenylsulfanyl-acetate Methyl 2-(4,5-dicyano-2-nitro-phenyl)-2-phenylsulfanyl-ethanoate 2-(4,5-dicyano-2-nitrophenyl)-2-(phenylthio)acetic acid methyl ester
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Formula C17H11N3O4S
InChI InChI=1S/C17H11N3O4S/c1-24-17(21)16(25-13-5-3-2-4-6-13)14-7-11(9-18)12(10-19)8-15(14)20(22)23/h2-8,16H,1H3
InChIKey SEROQDOYIDAGAR-UHFFFAOYSA-N
Molecular Weight 353.352 g/mol
SMILES c1c(c(cc(c1N(=O)=O)C(Sc1ccccc1)C(OC)=O)C#N)C#N
SPLASH splash10-0udl-2494000000-62fac3670d3d1d0652c4
Source of Spectrum AD-0-2532-0
Wiley ID 1434088