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1-Ethyl-4,5,8-triketo-quinoline-3-carboxylic acid ethyl ester
SpectraBase Compound ID 5IwljUxUDJZ
InChI InChI=1S/C14H13NO5/c1-3-15-7-8(14(19)20-4-2)13(18)11-9(16)5-6-10(17)12(11)15/h5-7H,3-4H2,1-2H3
InChIKey REXBFYQUZHQCOZ-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C14H13NO5
Exact Mass 275.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeSERVhzzQu
Name 1-Ethyl-4,5,8-triketo-quinoline-3-carboxylic acid ethyl ester
Alternate Name(s) 1-Ethyl-4,5,8-trioxo-3-quinolinecarboxylic acid ethyl ester Ethyl 1-ethyl-4,5,8-trioxo-quinoline-3-carboxylate Ethyl 1-ethyl-4,5,8-tris(oxidanylidene)quinoline-3-carboxylate
CAS Registry Number 85525-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO5
InChI InChI=1S/C14H13NO5/c1-3-15-7-8(14(19)20-4-2)13(18)11-9(16)5-6-10(17)12(11)15/h5-7H,3-4H2,1-2H3
InChIKey REXBFYQUZHQCOZ-UHFFFAOYSA-N
Molecular Weight 275.260 g/mol
SMILES C1=2C(C(C(=O)OCC)=CN(C2C(=O)C=CC1=O)CC)=O
SPLASH splash10-0fc0-0090000000-19e2bd1d44f714964bc6
Source of Spectrum H-65-2658-0
Wiley ID 106261