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benzoic acid, 4-[[[1-(4-bromophenyl)-5-oxo-3-pyrrolidinyl]carbonyl]amino]-, butyl ester
SpectraBase Compound ID 7oQANDzkEOi
InChI InChI=1S/C22H23BrN2O4/c1-2-3-12-29-22(28)15-4-8-18(9-5-15)24-21(27)16-13-20(26)25(14-16)19-10-6-17(23)7-11-19/h4-11,16H,2-3,12-14H2,1H3,(H,24,27)
InChIKey KRSIGLQVJRELDK-UHFFFAOYSA-N
Mol Weight 459.34 g/mol
Molecular Formula C22H23BrN2O4
Exact Mass 458.08412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0vVmpEx19g
Name 4-[[1-(4-bromophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid butyl ester
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Formula C22H23BrN2O4
InChI InChI=1S/C22H23BrN2O4/c1-2-3-12-29-22(28)15-4-8-18(9-5-15)24-21(27)16-13-20(26)25(14-16)19-10-6-17(23)7-11-19/h4-11,16H,2-3,12-14H2,1H3,(H,24,27)
InChIKey KRSIGLQVJRELDK-UHFFFAOYSA-N
Molecular Weight 459.340 g/mol
SMILES N(C(C1CN(C(C1)=O)c1ccc(cc1)Br)=O)c1ccc(C(=O)OCCCC)cc1
SPLASH splash10-0019-3920100000-0e2cda325fcdaf180323
Synonyms 4-[[[1-(4-bromophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid butyl ester Butyl 4-({[1-(4-bromophenyl)-5-oxo-3-pyrrolidinyl]carbonyl}amino)benzoate Butyl 4-[[1-(4-bromophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Butyl 4-[[1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate
Wiley ID 1460981