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

*Links on SpectraBase are not permalinks.

benzoic acid, 4-[1-(3-bromo-4-methylphenyl)-2,5-dihydro-4-hydroxy-3-(4-methoxybenzoyl)-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)-2,5-dihydro-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1H-pyrrol-2-yl]-, methyl ester
SpectraBase Compound ID 3BBhdvoYHyt
InChI InChI=1S/C27H22BrNO6/c1-15-4-11-19(14-21(15)28)29-23(16-5-7-18(8-6-16)27(33)35-3)22(25(31)26(29)32)24(30)17-9-12-20(34-2)13-10-17/h4-14,23,31H,1-3H3
InChIKey OVJISNFBOFEAQE-UHFFFAOYSA-N
Mol Weight 536.38 g/mol
Molecular Formula C27H22BrNO6
Exact Mass 535.06305 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 IiIuCKEm52Q
Name 4-[1-(3-bromo-4-methyl-phenyl)-4-hydroxy-3-(4-methoxy-benzoyl)-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 C27H22BrNO6
InChI InChI=1S/C27H22BrNO6/c1-15-4-11-19(14-21(15)28)29-23(16-5-7-18(8-6-16)27(33)35-3)22(25(31)26(29)32)24(30)17-9-12-20(34-2)13-10-17/h4-14,23,31H,1-3H3
InChIKey OVJISNFBOFEAQE-UHFFFAOYSA-N
Molecular Weight 536.378 g/mol
SMILES OC=1C(=O)N(C(C1C(c1ccc(cc1)OC)=O)c1ccc(C(=O)OC)cc1)c1cc(Br)c(cc1)C
SPLASH splash10-000i-3910000000-c6581dd77d31114f2b96
Synonyms Methyl 4-[1-(3-bromo-4-methylphenyl)-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Wiley ID 1466244