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1H-pyrrole-1-butanoic acid, 3-benzoyl-2-(4-chlorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-
SpectraBase Compound ID 9ZxMAro2FZR
InChI InChI=1S/C21H18ClNO5/c22-15-10-8-13(9-11-15)18-17(19(26)14-5-2-1-3-6-14)20(27)21(28)23(18)12-4-7-16(24)25/h1-3,5-6,8-11,18,27H,4,7,12H2,(H,24,25)
InChIKey GXBYQDIATZSRJE-UHFFFAOYSA-N
Mol Weight 399.83 g/mol
Molecular Formula C21H18ClNO5
Exact Mass 399.08735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID In74eyzR4YR
Name 4-[3-benzoyl-2-(4-chloro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClNO5
InChI InChI=1S/C21H18ClNO5/c22-15-10-8-13(9-11-15)18-17(19(26)14-5-2-1-3-6-14)20(27)21(28)23(18)12-4-7-16(24)25/h1-3,5-6,8-11,18,27H,4,7,12H2,(H,24,25)
InChIKey GXBYQDIATZSRJE-UHFFFAOYSA-N
Molecular Weight 399.830 g/mol
SMILES OC(CCCN1C(C(=C(C1=O)O)C(=O)c1ccccc1)c1ccc(cc1)Cl)=O
SPLASH splash10-056r-9200000000-6cb6d661baa182677471
Synonyms 4-[3-benzoyl-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Wiley ID 1447134