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2-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-4-oxo-1H-quinoline-6-carboxylic acid methyl ester
SpectraBase Compound ID 4HR6XaYnhcu
InChI InChI=1S/C20H19NO6S/c1-12-4-7-14(8-5-12)28(24,25)19-17(11-26-2)21-16-9-6-13(20(23)27-3)10-15(16)18(19)22/h4-10H,11H2,1-3H3,(H,21,22)
InChIKey QGEHQIPPXWUHAF-UHFFFAOYSA-N
Mol Weight 401.43 g/mol
Molecular Formula C20H19NO6S
Exact Mass 401.093309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEM5u6KdYQb
Name 2-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-4-oxo-1H-quinoline-6-carboxylic acid methyl ester
Alternate Name(s) 4-keto-2-(methoxymethyl)-3-tosyl-1H-quinoline-6-carboxylic acid methyl ester methyl 2-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-1H-quinoline-6-carboxylate methyl 2-(methoxymethyl)-3-(4-methylphenyl)sulfonyl-4-oxo-1H-quinoline-6-carboxylate methyl 2-(methoxymethyl)-4-oxo-3-(p-tolylsulfonyl)-1H-quinoline-6-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C20H19NO6S
InChI InChI=1S/C20H19NO6S/c1-12-4-7-14(8-5-12)28(24,25)19-17(11-26-2)21-16-9-6-13(20(23)27-3)10-15(16)18(19)22/h4-10H,11H2,1-3H3,(H,21,22)
InChIKey QGEHQIPPXWUHAF-UHFFFAOYSA-N
Molecular Weight 401.433 g/mol
SMILES N1c2c(C(C(=C1COC)S(c1ccc(cc1)C)(=O)=O)=O)cc(cc2)C(=O)OC
SPLASH splash10-052r-0009000000-74baeae259f1927d7ab2
Source of Spectrum F-68-2232-34
Wiley ID 1571993