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4-[2-(1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
SpectraBase Compound ID 65MkFpcSpvH
InChI InChI=1S/C23H21NO7/c1-13-4-6-14(7-5-13)21(27)19-20(15-8-9-16-17(11-15)31-12-30-16)24(23(29)22(19)28)10-2-3-18(25)26/h4-9,11,20,28H,2-3,10,12H2,1H3,(H,25,26)
InChIKey LRUTXWSVQXLYTD-UHFFFAOYSA-N
Mol Weight 423.42 g/mol
Molecular Formula C23H21NO7
Exact Mass 423.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRiTbj6yX8y
Name 4-[2-(1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO7
InChI InChI=1S/C23H21NO7/c1-13-4-6-14(7-5-13)21(27)19-20(15-8-9-16-17(11-15)31-12-30-16)24(23(29)22(19)28)10-2-3-18(25)26/h4-9,11,20,28H,2-3,10,12H2,1H3,(H,25,26)
InChIKey LRUTXWSVQXLYTD-UHFFFAOYSA-N
Molecular Weight 423.421 g/mol
SMILES OC(CCCN1C(C(=C(C1=O)O)C(c1ccc(cc1)C)=O)c1cc2OCOc2cc1)=O
SPLASH splash10-014i-6910000000-91b7484b24e6d389b33f
Synonyms 4-[2-benzo[1,3]dioxol-5-yl-4-hydroxy-3-(4-methyl-benzoyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-butyric acid
Wiley ID 1454499