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[2,5-Dioxo-1-(m-tolyl)-3-pyrrolidinylthio]acetic acid
SpectraBase Compound ID LJrGlaGmplG
InChI InChI=1S/C13H13NO4S/c1-8-3-2-4-9(5-8)14-11(15)6-10(13(14)18)19-7-12(16)17/h2-5,10H,6-7H2,1H3,(H,16,17)
InChIKey FZAKPWNPYSKUAE-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C13H13NO4S
Exact Mass 279.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OPNIKZfB92
Name [2,5-Dioxo-1-(m-tolyl)-3-pyrrolidinylthio]acetic acid
Alternate Name(s) ([1-(3-Methylphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl)acetic acid 2-[1-(3-methylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylethanoic acid 2-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid 2-[1-(m-tolyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylacetic acid 2-[[1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]acetic acid 2-[[2,5-diketo-1-(m-tolyl)pyrrolidin-3-yl]thio]acetic acid
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Formula C13H13NO4S
InChI InChI=1S/C13H13NO4S/c1-8-3-2-4-9(5-8)14-11(15)6-10(13(14)18)19-7-12(16)17/h2-5,10H,6-7H2,1H3,(H,16,17)
InChIKey FZAKPWNPYSKUAE-UHFFFAOYSA-N
Molecular Weight 279.310 g/mol
SMILES OC(CSC1CC(N(C1=O)c1cc(ccc1)C)=O)=O
SPLASH splash10-052f-9200000000-f335fa60cd455620cce1
Wiley ID 1469573