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4-keto-1H-quinoline-3-carboxylic acid butyl ester
SpectraBase Compound ID BulCgZGkHA8
InChI InChI=1S/C14H15NO3/c1-2-3-8-18-14(17)11-9-15-12-7-5-4-6-10(12)13(11)16/h4-7,9H,2-3,8H2,1H3,(H,15,16)
InChIKey LKWHYYPRQAIKDW-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7c5ChsSXJbs
Name 4-keto-1H-quinoline-3-carboxylic acid butyl ester
Alternate Name(s) 4-oxo-1H-quinoline-3-carboxylic acid butyl ester butyl 4-oxidanylidene-1H-quinoline-3-carboxylate butyl 4-oxo-1H-quinoline-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-2-3-8-18-14(17)11-9-15-12-7-5-4-6-10(12)13(11)16/h4-7,9H,2-3,8H2,1H3,(H,15,16)
InChIKey LKWHYYPRQAIKDW-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES Oc1c(cnc2c1cccc2)C(=O)OCCCC
SPLASH splash10-000i-0910000000-8fcaa804420375675a97
Source of Spectrum C4-2001-603-5
Wiley ID 1520073