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1-Ethyl-4,5,8-triketo-quinoline-3-carboxylic acid
SpectraBase Compound ID LFGhQohXkKM
InChI InChI=1S/C12H9NO5/c1-2-13-5-6(12(17)18)11(16)9-7(14)3-4-8(15)10(9)13/h3-5H,2H2,1H3,(H,17,18)
InChIKey UTQUSZIRFDMXPT-UHFFFAOYSA-N
Mol Weight 247.21 g/mol
Molecular Formula C12H9NO5
Exact Mass 247.048072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPDelsOLr5S
Name 1-Ethyl-4,5,8-triketo-quinoline-3-carboxylic acid
CAS Registry Number 85525-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO5
InChI InChI=1S/C12H9NO5/c1-2-13-5-6(12(17)18)11(16)9-7(14)3-4-8(15)10(9)13/h3-5H,2H2,1H3,(H,17,18)
InChIKey UTQUSZIRFDMXPT-UHFFFAOYSA-N
Molecular Weight 247.206 g/mol
SMILES OC(C=1C(C2=C(N(C1)CC)C(=O)C=CC2=O)=O)=O
SPLASH splash10-0ugi-0490000000-054c7d79d1b67ff0ca3c
Source of Spectrum H-65-2657-0
Synonyms 1-Ethyl-4,5,8-trioxo-3-quinolinecarboxylic acid 1-Ethyl-4,5,8-trioxo-quinoline-3-carboxylic acid 1-Ethyl-4,5,8-tris(oxidanylidene)quinoline-3-carboxylic acid
Wiley ID 1249822