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4-[3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID 2dQXPQ21e4H
InChI InChI=1S/C21H18BrNO5/c1-3-28-21(27)14-6-10-16(11-7-14)23-18(13-4-8-15(22)9-5-13)17(12(2)24)19(25)20(23)26/h4-11,18,25H,3H2,1-2H3
InChIKey FQDOMHUZZNXFEI-UHFFFAOYSA-N
Mol Weight 444.28 g/mol
Molecular Formula C21H18BrNO5
Exact Mass 443.036836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49uFRvkrYn3
Name 4-[3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid ethyl ester Ethyl 4-[2-(4-bromophenyl)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate Ethyl 4-[3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoate
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Formula C21H18BrNO5
InChI InChI=1S/C21H18BrNO5/c1-3-28-21(27)14-6-10-16(11-7-14)23-18(13-4-8-15(22)9-5-13)17(12(2)24)19(25)20(23)26/h4-11,18,25H,3H2,1-2H3
InChIKey FQDOMHUZZNXFEI-UHFFFAOYSA-N
Molecular Weight 444.281 g/mol
SMILES OC=1C(N(C(C1C(C)=O)c1ccc(cc1)Br)c1ccc(cc1)C(OCC)=O)=O
SPLASH splash10-0f6x-8940200000-423781e3f97cd337482b
Wiley ID 1438619