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3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
SpectraBase Compound ID 7bUWkLppfpv
InChI InChI=1S/C20H15ClN2O7/c21-13-6-4-11(5-7-13)18(26)16-17(12-2-1-3-14(10-12)23(29)30)22(9-8-15(24)25)20(28)19(16)27/h1-7,10,17,27H,8-9H2,(H,24,25)
InChIKey FVQMGOSHRCRZSZ-UHFFFAOYSA-N
Mol Weight 430.8 g/mol
Molecular Formula C20H15ClN2O7
Exact Mass 430.056779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IVxcl7gipd
Name 3-[3-(4-chloro-benzoyl)-4-hydroxy-2-(3-nitro-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN2O7
InChI InChI=1S/C20H15ClN2O7/c21-13-6-4-11(5-7-13)18(26)16-17(12-2-1-3-14(10-12)23(29)30)22(9-8-15(24)25)20(28)19(16)27/h1-7,10,17,27H,8-9H2,(H,24,25)
InChIKey FVQMGOSHRCRZSZ-UHFFFAOYSA-N
Molecular Weight 430.800 g/mol
SMILES OC(CCN1C(C(=C(C1=O)O)C(c1ccc(cc1)Cl)=O)c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-000i-1910000000-bc8cbe528cb4fe4c0811
Synonyms 3-[3-(4-chlorobenzoyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
Wiley ID 1460877