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acetic acid, [4-[3-benzoyl-2,5-dihydro-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrrol-1-yl]phenoxy]-
SpectraBase Compound ID EiN0uflhbcp
InChI InChI=1S/C26H21NO7/c1-33-20-9-5-8-17(14-20)23-22(24(30)16-6-3-2-4-7-16)25(31)26(32)27(23)18-10-12-19(13-11-18)34-15-21(28)29/h2-14,23,31H,15H2,1H3,(H,28,29)
InChIKey OJYCSCLTXQDJJL-UHFFFAOYSA-N
Mol Weight 459.45 g/mol
Molecular Formula C26H21NO7
Exact Mass 459.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRTTF7Sq7mv
Name [4-[3-benzoyl-4-hydroxy-2-(3-methoxy-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-phenoxy]-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21NO7
InChI InChI=1S/C26H21NO7/c1-33-20-9-5-8-17(14-20)23-22(24(30)16-6-3-2-4-7-16)25(31)26(32)27(23)18-10-12-19(13-11-18)34-15-21(28)29/h2-14,23,31H,15H2,1H3,(H,28,29)
InChIKey OJYCSCLTXQDJJL-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES OC(COc1ccc(N2C(C(=C(C2c2cc(OC)ccc2)C(=O)c2ccccc2)O)=O)cc1)=O
SPLASH splash10-0a4i-6910000000-2951739917d809694d3a
Synonyms {4-[3-benzoyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenoxy}acetic acid
Wiley ID 1453325