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3-(4-Chlorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanoic acid
SpectraBase Compound ID 3sTw44Rch28
InChI InChI=1S/C13H12ClNO4/c14-9-3-1-8(2-4-9)10(7-13(18)19)15-11(16)5-6-12(15)17/h1-4,10H,5-7H2,(H,18,19)
InChIKey CXIWTSMKQUFYIR-UHFFFAOYSA-N
Mol Weight 281.69 g/mol
Molecular Formula C13H12ClNO4
Exact Mass 281.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B48H3eM09Y0
Name 3-(4-Chlorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanoic acid
Alternate Name(s) 3-(4-Chlorophenyl)-3-(2,5-dioxo-1-pyrrolidinyl)propanoic acid 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-3-(4-chlorophenyl)propanoic acid
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Formula C13H12ClNO4
InChI InChI=1S/C13H12ClNO4/c14-9-3-1-8(2-4-9)10(7-13(18)19)15-11(16)5-6-12(15)17/h1-4,10H,5-7H2,(H,18,19)
InChIKey CXIWTSMKQUFYIR-UHFFFAOYSA-N
Molecular Weight 281.695 g/mol
SMILES OC(=O)CC(N1C(CCC1=O)=O)c1ccc(cc1)Cl
SPLASH splash10-052r-7950000000-aa7bcd42a3c08a9cf69e
Source of Spectrum IY-2-5195-4
Wiley ID 1659937