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(phenylmethyl) 2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SpectraBase Compound ID BDe2GDF0qrh
InChI InChI=1S/C25H25NO3S/c1-16-22(25(28)29-15-17-7-4-3-5-8-17)23(18-11-13-19(30-2)14-12-18)24-20(26-16)9-6-10-21(24)27/h3-5,7-8,11-14,23,26H,6,9-10,15H2,1-2H3
InChIKey PVGRDXXFNJVDGF-UHFFFAOYSA-N
Mol Weight 419.54 g/mol
Molecular Formula C25H25NO3S
Exact Mass 419.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5akvDF0FzeM
Name (phenylmethyl) 2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
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Formula C25H25NO3S
InChI InChI=1S/C25H25NO3S/c1-16-22(25(28)29-15-17-7-4-3-5-8-17)23(18-11-13-19(30-2)14-12-18)24-20(26-16)9-6-10-21(24)27/h3-5,7-8,11-14,23,26H,6,9-10,15H2,1-2H3
InChIKey PVGRDXXFNJVDGF-UHFFFAOYSA-N
Molecular Weight 419.539 g/mol
SMILES N1C2=C(C(C(=C1C)C(OCc1ccccc1)=O)c1ccc(cc1)SC)C(CCC2)=O
SPLASH splash10-0002-5592200000-8f2a19d0f2e58fa00143
Synonyms 2-Methyl-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester 5-keto-2-methyl-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester benzyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Wiley ID 1461728