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YBEOYBKKSWUSBR-UHFFFAOYSA-N
SpectraBase Compound ID 4zVCeFZtM5b
InChI InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14/h3-7H,2H2,1H3,(H,13,14)
InChIKey YBEOYBKKSWUSBR-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LHDDqUONtV
Name 3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS Registry Number 52980-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-2-16-12(15)9-7-13-10-6-4-3-5-8(10)11(9)14/h3-7H,2H2,1H3,(H,13,14)
InChIKey YBEOYBKKSWUSBR-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES N1C=C(C(c2c1cccc2)=O)C(OCC)=O
SPLASH splash10-00xr-0930000000-1b822b91d70f244c5c2b
Source of Spectrum F-45-897-2
Synonyms 3-Ethoxycarbonyl-4-hydroxyquinoline Ethyl 4-hydroxy-3-quinolinecarboxylate Ethyl 4-oxo-1,4-dihydro-3-quinolinecarboxylate 4-Hydroxy-3-ethoxycarbonylquinoline 4-keto-1H-quinoline-3-carboxylic acid ethyl ester 4-Oxo-1H-quinoline-3-carboxylic acid ethyl ester Ethyl 4-oxidanylidene-1H-quinoline-3-carboxylate Ethyl 4-oxo-1,4-dihydroquinoline-3-carboxylate Ethyl 4-oxo-1H-quinoline-3-carboxylate
Wiley ID 1216539