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(2-Cyano-5-methoxycarbonylmethylsulfanyl-phenylsulfanyl)-acetic acid methyl ester
SpectraBase Compound ID BPZvtKDuAY9
InChI InChI=1S/C13H13NO4S2/c1-17-12(15)7-19-10-4-3-9(6-14)11(5-10)20-8-13(16)18-2/h3-5H,7-8H2,1-2H3
InChIKey VXNYDOWOXFFSOQ-UHFFFAOYSA-N
Mol Weight 311.37 g/mol
Molecular Formula C13H13NO4S2
Exact Mass 311.0286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0Y6TR3A1dw
Name (2-Cyano-5-methoxycarbonylmethylsulfanyl-phenylsulfanyl)-acetic acid methyl ester
Alternate Name(s) 2-[[4-cyano-3-[(2-keto-2-methoxy-ethyl)thio]phenyl]thio]acetic acid methyl ester 2-[[4-cyano-3-[(2-methoxy-2-oxoethyl)thio]phenyl]thio]acetic acid methyl ester Methyl 2-[4-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-phenyl]sulfanylethanoate Methyl 2-[4-cyano-3-(2-methoxy-2-oxo-ethyl)sulfanyl-phenyl]sulfanylacetate
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Formula C13H13NO4S2
InChI InChI=1S/C13H13NO4S2/c1-17-12(15)7-19-10-4-3-9(6-14)11(5-10)20-8-13(16)18-2/h3-5H,7-8H2,1-2H3
InChIKey VXNYDOWOXFFSOQ-UHFFFAOYSA-N
Molecular Weight 311.370 g/mol
SMILES c1(c(C#N)ccc(SCC(=O)OC)c1)SCC(=O)OC
SPLASH splash10-01ox-7922000000-661122d921d780b62b48
Wiley ID 1465538