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1H-pyrrole-1-hexanoic acid, 3-(2,2-dimethyl-1-oxopropyl)-2-(4-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-
SpectraBase Compound ID tK0XtvJQ55
InChI InChI=1S/C21H26FNO5/c1-21(2,3)19(27)16-17(13-8-10-14(22)11-9-13)23(20(28)18(16)26)12-6-4-5-7-15(24)25/h8-11,17,26H,4-7,12H2,1-3H3,(H,24,25)
InChIKey CXBNBHQEBMTJBU-UHFFFAOYSA-N
Mol Weight 391.44 g/mol
Molecular Formula C21H26FNO5
Exact Mass 391.179501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 188PlZnS6K
Name 6-[2-(4-fluorophenyl)-4-hydroxy-5-keto-3-pivaloyl-3-pyrrolin-1-yl]hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26FNO5
InChI InChI=1S/C21H26FNO5/c1-21(2,3)19(27)16-17(13-8-10-14(22)11-9-13)23(20(28)18(16)26)12-6-4-5-7-15(24)25/h8-11,17,26H,4-7,12H2,1-3H3,(H,24,25)
InChIKey CXBNBHQEBMTJBU-UHFFFAOYSA-N
Molecular Weight 391.439 g/mol
SMILES OC(CCCCCN1C(C(=C(C1=O)O)C(C(C)(C)C)=O)c1ccc(cc1)F)=O
SPLASH splash10-060u-9655000000-51bea52df0c820280a96
Synonyms 6-[3-(2,2-dimethyl-1-oxopropyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoic acid 6-[3-(2,2-Dimethylpropanoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid 6-[3-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]hexanoic acid 6-[3-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]hexanoic acid
Wiley ID 1453623