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3-(5-Cyano-4-methoxycarbonylmethyl-4,5-dimethyl-2-thioxo-pyrrolidin-3-yl)-propionic acid, methyl ester
SpectraBase Compound ID GEw88F1XfI4
InChI InChI=1S/C14H20N2O4S/c1-13(7-11(18)20-4)9(5-6-10(17)19-3)12(21)16-14(13,2)8-15/h9H,5-7H2,1-4H3,(H,16,21)
InChIKey WQCDVAIGFCGMJX-UHFFFAOYSA-N
Mol Weight 312.38 g/mol
Molecular Formula C14H20N2O4S
Exact Mass 312.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ddu1GJdfPVO
Name 3-(5-Cyano-4-methoxycarbonylmethyl-4,5-dimethyl-2-thioxo-pyrrolidin-3-yl)-propionic acid, methyl ester
Alternate Name(s) 3-(5-Cyano-4-methoxycarbonylmethyl-4,5-dimethyl-2-thioxo-pyrrolidin-3-yl)-propio 3-[5-cyano-4-(2-keto-2-methoxy-ethyl)-4,5-dimethyl-2-thioxo-pyrrolidin-3-yl]propionic acid methyl ester 3-[5-cyano-4-(2-methoxy-2-oxoethyl)-4,5-dimethyl-2-sulfanylidene-3-pyrrolidinyl]propanoic acid methyl ester Methyl 3-[5-cyano-4-(2-methoxy-2-oxidanylidene-ethyl)-4,5-dimethyl-2-sulfanylidene-pyrrolidin-3-yl]propanoate Methyl 3-[5-cyano-4-(2-methoxy-2-oxo-ethyl)-4,5-dimethyl-2-thioxo-pyrrolidin-3-yl]propanoate Methyl 3-[5-cyano-4-(2-methoxy-2-oxoethyl)-4,5-dimethyl-2-sulfanylidenepyrrolidin-3-yl]propanoate Methyl 3-[5-cyano-4-(2-methoxy-2-oxoethyl)-4,5-dimethyl-2-thioxo-3-pyrrolidinyl]propanoate
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Formula C14H20N2O4S
InChI InChI=1S/C14H20N2O4S/c1-13(7-11(18)20-4)9(5-6-10(17)19-3)12(21)16-14(13,2)8-15/h9H,5-7H2,1-4H3,(H,16,21)
InChIKey WQCDVAIGFCGMJX-UHFFFAOYSA-N
Molecular Weight 312.384 g/mol
SMILES N1C(C(C(C1(C#N)C)(CC(=O)OC)C)CCC(=O)OC)=S
SPLASH splash10-002f-9310000000-f99b6debe163645fe4c1
Wiley ID 1484342