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acetic acid, [4-[3-acetyl-2,5-dihydro-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrrol-1-yl]phenoxy]-
SpectraBase Compound ID 5Rq3tjC1HRG
InChI InChI=1S/C21H19NO7/c1-12(23)18-19(13-4-3-5-16(10-13)28-2)22(21(27)20(18)26)14-6-8-15(9-7-14)29-11-17(24)25/h3-10,19,26H,11H2,1-2H3,(H,24,25)
InChIKey BKQOPOZQZBZWGQ-UHFFFAOYSA-N
Mol Weight 397.38 g/mol
Molecular Formula C21H19NO7
Exact Mass 397.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8tKH8Fe6UK
Name 2-[4-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenoxy]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO7
InChI InChI=1S/C21H19NO7/c1-12(23)18-19(13-4-3-5-16(10-13)28-2)22(21(27)20(18)26)14-6-8-15(9-7-14)29-11-17(24)25/h3-10,19,26H,11H2,1-2H3,(H,24,25)
InChIKey BKQOPOZQZBZWGQ-UHFFFAOYSA-N
Molecular Weight 397.383 g/mol
SMILES OC(COc1ccc(N2C(C(=C(C2c2cc(OC)ccc2)C(=O)C)O)=O)cc1)=O
SPLASH splash10-03dl-6910000000-df603c15a4c3a57cdd1f
Synonyms 2-[4-[3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]phenoxy]ethanoic acid 2-[4-[4-acetyl-3-hydroxy-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-1-yl]phenoxy]acetic acid {4-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenoxy}acetic acid
Wiley ID 1465516