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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 9qHNpCWqGzv
InChI InChI=1S/C24H31NO3S/c1-6-29-12-11-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-10-8-7-9-15(17)2/h7-10,21,25H,6,11-14H2,1-5H3
InChIKey UXDDOWVTZZIQDC-UHFFFAOYSA-N
Mol Weight 413.58 g/mol
Molecular Formula C24H31NO3S
Exact Mass 413.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1966SiMEs4C
Name 2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester
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Formula C24H31NO3S
InChI InChI=1S/C24H31NO3S/c1-6-29-12-11-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-10-8-7-9-15(17)2/h7-10,21,25H,6,11-14H2,1-5H3
InChIKey UXDDOWVTZZIQDC-UHFFFAOYSA-N
Molecular Weight 413.576 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)c1c(C)cccc1)C(=O)OCCSCC)C
SPLASH splash10-01w3-9532000000-8bec0fab12d53f8479ff
Synonyms 2-Ethylsulfanylethyl 2,7,7-trimethyl-4-(2-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate 2-Ethylsulfanylethyl 2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 2-Ethylsulfanylethyl 2,7,7-trimethyl-4-(o-tolyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate 5-keto-2,7,7-trimethyl-4-(o-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester
Wiley ID 1462327