For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
acetic acid, [4-[3-benzoyl-2-(3-fluorophenyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]phenoxy]-
SpectraBase Compound ID In3R03A1Swq
InChI InChI=1S/C25H18FNO6/c26-17-8-4-7-16(13-17)22-21(23(30)15-5-2-1-3-6-15)24(31)25(32)27(22)18-9-11-19(12-10-18)33-14-20(28)29/h1-13,22,31H,14H2,(H,28,29)
InChIKey LKFCGTVCDRNOHS-UHFFFAOYSA-N
Mol Weight 447.42 g/mol
Molecular Formula C25H18FNO6
Exact Mass 447.111815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4yek0RoZnc0
Name [4-[3-benzoyl-2-(3-fluoro-phenyl)-4-hydroxy-5-oxo-2,5-dihydro-pyrrol-1-yl]-phenoxy]-acetic acid
Alternate Name(s) {4-[3-benzoyl-2-(3-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/c26-17-8-4-7-16(13-17)22-21(23(30)15-5-2-1-3-6-15)24(31)25(32)27(22)18-9-11-19(12-10-18)33-14-20(28)29/h1-13,22,31H,14H2,(H,28,29)
InChIKey LKFCGTVCDRNOHS-UHFFFAOYSA-N
Molecular Weight 447.418 g/mol
SMILES OC(COc1ccc(N2C(C(=C(C2c2cc(F)ccc2)C(=O)c2ccccc2)O)=O)cc1)=O
SPLASH splash10-0a6r-6920000000-3589c85f39f8686dfa2c
Wiley ID 1453296