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

*Links on SpectraBase are not permalinks.

benzoic acid, 4-[1-(3-bromo-4-methylphenyl)-3-(4-chlorobenzoyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-2-yl]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

benzoic acid, 4-[1-(3-bromo-4-methylphenyl)-3-(4-chlorobenzoyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-2-yl]-, methyl ester
SpectraBase Compound ID 72l42fbFePN
InChI InChI=1S/C26H19BrClNO5/c1-14-3-12-19(13-20(14)27)29-22(15-4-6-17(7-5-15)26(33)34-2)21(24(31)25(29)32)23(30)16-8-10-18(28)11-9-16/h3-13,22,31H,1-2H3
InChIKey OFPSPPPCWWWDFA-UHFFFAOYSA-N
Mol Weight 540.8 g/mol
Molecular Formula C26H19BrClNO5
Exact Mass 539.013513 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 I9UyRIuQTVe
Name 4-[1-(3-bromo-4-methyl-phenyl)-3-(4-chloro-benzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19BrClNO5
InChI InChI=1S/C26H19BrClNO5/c1-14-3-12-19(13-20(14)27)29-22(15-4-6-17(7-5-15)26(33)34-2)21(24(31)25(29)32)23(30)16-8-10-18(28)11-9-16/h3-13,22,31H,1-2H3
InChIKey OFPSPPPCWWWDFA-UHFFFAOYSA-N
Molecular Weight 540.797 g/mol
SMILES OC=1C(=O)N(C(C1C(c1ccc(cc1)Cl)=O)c1ccc(C(=O)OC)cc1)c1cc(Br)c(cc1)C
SPLASH splash10-000i-3900000000-561df3f3777d1d81dd2a
Synonyms Methyl 4-[1-(3-bromo-4-methylphenyl)-3-(4-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Wiley ID 1453864