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3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
SpectraBase Compound ID 4Zob7z9eqF5
InChI InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)
InChIKey NNOPDLNHPOLRRE-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C22H23NO4
Exact Mass 365.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KtFtTnJWZK
Name 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
Alternate Name(s) Methyl 7-(benzyloxy)-6-butyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate 3-Quinolinecarboxylic acid, 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-, methyl ester 6-Butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-3-quinolinecarboxylic acid methyl ester 6-Butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylic acid methyl ester 7-Benzoxy-6-butyl-4-keto-1H-quinoline-3-carboxylic acid methyl ester Mequinate Methyl 6-butyl-4-oxidanylidene-7-phenylmethoxy-1H-quinoline-3-carboxylate Methyl 6-butyl-4-oxo-7-phenylmethoxy-1H-quinoline-3-carboxylate Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate Methyl 7-benzyloxy-6-butyl-4-oxo-1H-quinoline-3-carboxylate Methyl benzoquate Neoquate Neqoinate Nequinate Nequinato Nequinatum Statoquate Statyl Tranil AI3-52600 EINECS 237-796-6
CAS Registry Number 13997-19-8
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Formula C22H23NO4
InChI InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)
InChIKey NNOPDLNHPOLRRE-UHFFFAOYSA-N
Molecular Weight 365.429 g/mol
SMILES N1c2cc(c(cc2C(C(=C1)C(=O)OC)=O)CCCC)OCc1ccccc1
SPLASH splash10-0006-9134000000-f32d2b08f71c44bd29f1
Source of Spectrum EP-1306-0-0
Wiley ID 1351464