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acetic acid, [4-[3-benzoyl-2-(2-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]phenoxy]-
SpectraBase Compound ID EjrwHd1nHKA
InChI InChI=1S/C25H18FNO6/c26-19-9-5-4-8-18(19)22-21(23(30)15-6-2-1-3-7-15)24(31)25(32)27(22)16-10-12-17(13-11-16)33-14-20(28)29/h1-13,22,31H,14H2,(H,28,29)
InChIKey QZBDWWITWCVKAP-UHFFFAOYSA-N
Mol Weight 447.42 g/mol
Molecular Formula C25H18FNO6
Exact Mass 447.111815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHhcdXwboo9
Name [4-[3-benzoyl-2-(2-fluoro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-phenoxy]-acetic acid
Alternate Name(s) {4-[3-benzoyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenoxy}acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18FNO6
InChI InChI=1S/C25H18FNO6/c26-19-9-5-4-8-18(19)22-21(23(30)15-6-2-1-3-7-15)24(31)25(32)27(22)16-10-12-17(13-11-16)33-14-20(28)29/h1-13,22,31H,14H2,(H,28,29)
InChIKey QZBDWWITWCVKAP-UHFFFAOYSA-N
Molecular Weight 447.418 g/mol
SMILES OC(COc1ccc(N2C(C(=C(C2c2c(F)cccc2)C(=O)c2ccccc2)O)=O)cc1)=O
SPLASH splash10-0a6r-8920000000-aa2c3c3873f59b6aabca
Wiley ID 1453287