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4-[3-(4-fluoro-benzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl]-butyric acid
SpectraBase Compound ID ITARst7Ul5x
InChI InChI=1S/C21H18FNO5/c22-15-10-8-14(9-11-15)19(26)17-18(13-5-2-1-3-6-13)23(21(28)20(17)27)12-4-7-16(24)25/h1-3,5-6,8-11,18,27H,4,7,12H2,(H,24,25)
InChIKey LZQBWASLMFRJOO-UHFFFAOYSA-N
Mol Weight 383.38 g/mol
Molecular Formula C21H18FNO5
Exact Mass 383.116901 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRd0Sh0WjUI
Name 4-[3-(4-fluoro-benzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-pyrrol-1-yl]-butyric acid
Alternate Name(s) 4-[3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18FNO5
InChI InChI=1S/C21H18FNO5/c22-15-10-8-14(9-11-15)19(26)17-18(13-5-2-1-3-6-13)23(21(28)20(17)27)12-4-7-16(24)25/h1-3,5-6,8-11,18,27H,4,7,12H2,(H,24,25)
InChIKey LZQBWASLMFRJOO-UHFFFAOYSA-N
Molecular Weight 383.375 g/mol
SMILES OC(CCCN1C(C(=C(C1=O)O)C(c1ccc(cc1)F)=O)c1ccccc1)=O
SPLASH splash10-00dj-9600000000-624c0fadbff447bd29e8
Wiley ID 1443812