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1H-pyrrole-1-butanoic acid, 3-benzoyl-2,5-dihydro-4-hydroxy-2-(3-nitrophenyl)-5-oxo-
SpectraBase Compound ID DfA5AX2Q4sF
InChI InChI=1S/C21H18N2O7/c24-16(25)10-5-11-22-18(14-8-4-9-15(12-14)23(29)30)17(20(27)21(22)28)19(26)13-6-2-1-3-7-13/h1-4,6-9,12,18,27H,5,10-11H2,(H,24,25)
InChIKey AHJNOEXWJJUKCY-UHFFFAOYSA-N
Mol Weight 410.38 g/mol
Molecular Formula C21H18N2O7
Exact Mass 410.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sXDVg01gZH
Name 4-[3-benzoyl-4-hydroxy-2-(3-nitro-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O7
InChI InChI=1S/C21H18N2O7/c24-16(25)10-5-11-22-18(14-8-4-9-15(12-14)23(29)30)17(20(27)21(22)28)19(26)13-6-2-1-3-7-13/h1-4,6-9,12,18,27H,5,10-11H2,(H,24,25)
InChIKey AHJNOEXWJJUKCY-UHFFFAOYSA-N
Molecular Weight 410.382 g/mol
SMILES OC(CCCN1C(C(=C(C1=O)O)C(=O)c1ccccc1)c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-0a4i-7910000000-e4f160bf7f333ec42fc8
Synonyms 4-[3-benzoyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
Wiley ID 1447133