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1H-pyrrole-1-propanoic acid, 2,5-dihydro-3-hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2-oxo-
SpectraBase Compound ID JJkHCgpZzYt
InChI InChI=1S/C22H21NO6/c1-13-3-5-15(6-4-13)20(26)18-19(14-7-9-16(29-2)10-8-14)23(12-11-17(24)25)22(28)21(18)27/h3-10,19,27H,11-12H2,1-2H3,(H,24,25)
InChIKey JQGIYLRYFYGZBN-UHFFFAOYSA-N
Mol Weight 395.41 g/mol
Molecular Formula C22H21NO6
Exact Mass 395.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5S7HVhKKw77
Name 3-[3-hydroxy-5-(4-methoxy-phenyl)-4-(4-methyl-benzoyl)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO6
InChI InChI=1S/C22H21NO6/c1-13-3-5-15(6-4-13)20(26)18-19(14-7-9-16(29-2)10-8-14)23(12-11-17(24)25)22(28)21(18)27/h3-10,19,27H,11-12H2,1-2H3,(H,24,25)
InChIKey JQGIYLRYFYGZBN-UHFFFAOYSA-N
Molecular Weight 395.411 g/mol
SMILES OC(CCN1C(C(=C(C1=O)O)C(c1ccc(cc1)C)=O)c1ccc(cc1)OC)=O
SPLASH splash10-014i-6910000000-1b70c64613f0f8bc9bd5
Synonyms 3-[3-hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
Wiley ID 1454681