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5-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-2-hydroxy-benzoic acid
SpectraBase Compound ID 1bw5FRiGWsK
InChI InChI=1S/C19H14N2O8/c1-9(22)15-16(10-2-4-11(5-3-10)21(28)29)20(18(25)17(15)24)12-6-7-14(23)13(8-12)19(26)27/h2-8,16,23-24H,1H3,(H,26,27)
InChIKey CETLWJKXCARPDU-UHFFFAOYSA-N
Mol Weight 398.33 g/mol
Molecular Formula C19H14N2O8
Exact Mass 398.075015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IlFQevWdWg
Name 5-[3-acetyl-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-2-hydroxy-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N2O8
InChI InChI=1S/C19H14N2O8/c1-9(22)15-16(10-2-4-11(5-3-10)21(28)29)20(18(25)17(15)24)12-6-7-14(23)13(8-12)19(26)27/h2-8,16,23-24H,1H3,(H,26,27)
InChIKey CETLWJKXCARPDU-UHFFFAOYSA-N
Molecular Weight 398.327 g/mol
SMILES OC(c1cc(ccc1O)N1C(C(=C(C1=O)O)C(=O)C)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0006-9612000000-fbedbe2d35f82b333021
Synonyms 5-[3-ethanoyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-2-oxidanyl-benzoic acid 5-[4-acetyl-3-hydroxy-2-keto-5-(4-nitrophenyl)-3-pyrrolin-1-yl]-2-hydroxy-benzoic acid
Wiley ID 1443841