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Acetic acid, 2-(2-cyano-5-nitrophenylthio)-, methyl ester
SpectraBase Compound ID 6oOQT7ORpFe
InChI InChI=1S/C10H8N2O4S/c1-16-10(13)6-17-9-4-8(12(14)15)3-2-7(9)5-11/h2-4H,6H2,1H3
InChIKey XQPVETYFNJPVRM-UHFFFAOYSA-N
Mol Weight 252.24 g/mol
Molecular Formula C10H8N2O4S
Exact Mass 252.020478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Copt0RIZs
Name Acetic acid, 2-(2-cyano-5-nitrophenylthio)-, methyl ester
Alternate Name(s) 2-[(2-cyano-5-nitro-phenyl)thio]acetic acid methyl ester Methyl 2-(2-cyano-5-nitro-phenyl)sulfanylacetate Methyl 2-(2-cyano-5-nitro-phenyl)sulfanylethanoate 2-[(2-cyano-5-nitrophenyl)thio]acetic acid methyl ester
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Formula C10H8N2O4S
InChI InChI=1S/C10H8N2O4S/c1-16-10(13)6-17-9-4-8(12(14)15)3-2-7(9)5-11/h2-4H,6H2,1H3
InChIKey XQPVETYFNJPVRM-UHFFFAOYSA-N
Molecular Weight 252.244 g/mol
SMILES COC(CSc1cc(N(=O)=O)ccc1C#N)=O
SPLASH splash10-0f6y-7930000000-6d0c459b0aba2975c3ce
Wiley ID 1455612