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

*Links on SpectraBase are not permalinks.
acetic acid, [4-[3-acetyl-2-(4-ethylphenyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]phenoxy]-
SpectraBase Compound ID EMbYPVvRBMB
InChI InChI=1S/C22H21NO6/c1-3-14-4-6-15(7-5-14)20-19(13(2)24)21(27)22(28)23(20)16-8-10-17(11-9-16)29-12-18(25)26/h4-11,20,27H,3,12H2,1-2H3,(H,25,26)
InChIKey VNVZDYBUFJQZKU-UHFFFAOYSA-N
Mol Weight 395.41 g/mol
Molecular Formula C22H21NO6
Exact Mass 395.136887 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 Dd3i6YpS9Qa
Name 2-[4-[3-acetyl-2-(4-ethylphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]phenoxy]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO6
InChI InChI=1S/C22H21NO6/c1-3-14-4-6-15(7-5-14)20-19(13(2)24)21(27)22(28)23(20)16-8-10-17(11-9-16)29-12-18(25)26/h4-11,20,27H,3,12H2,1-2H3,(H,25,26)
InChIKey VNVZDYBUFJQZKU-UHFFFAOYSA-N
Molecular Weight 395.411 g/mol
SMILES OC(COc1ccc(N2C(C(=C(C2c2ccc(cc2)CC)C(=O)C)O)=O)cc1)=O
SPLASH splash10-0k96-4920000000-d7bb7f52d9ac9b542a12
Synonyms 2-[4-[3-acetyl-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]phenoxy]acetic acid 2-[4-[3-ethanoyl-2-(4-ethylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]phenoxy]ethanoic acid {4-[3-acetyl-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenoxy}acetic acid
Wiley ID 1465512