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1-(4-Bromo-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(4-Bromo-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
SpectraBase Compound ID 77Gh3wgM8dM
InChI InChI=1S/C12H12BrNO3/c1-7-4-9(13)2-3-10(7)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17)
InChIKey XZOKUZNXZRYKBF-UHFFFAOYSA-N
Mol Weight 298.14 g/mol
Molecular Formula C12H12BrNO3
Exact Mass 297.000056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ffQPWatIoI
Name 1-(4-Bromo-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid
Alternate Name(s) 1-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid 1-(4-bromo-2-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid 1-(4-Bromo-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
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Formula C12H12BrNO3
InChI InChI=1S/C12H12BrNO3/c1-7-4-9(13)2-3-10(7)14-6-8(12(16)17)5-11(14)15/h2-4,8H,5-6H2,1H3,(H,16,17)
InChIKey XZOKUZNXZRYKBF-UHFFFAOYSA-N
Molecular Weight 298.136 g/mol
SMILES OC(C1CN(C(C1)=O)c1c(cc(cc1)Br)C)=O
SPLASH splash10-0f6t-7890000000-24c75047cd362eb2378f
Wiley ID 1451333