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8-BENZYLTHIO-5-METHOXYCARBONYL-QUINOLINE
SpectraBase Compound ID IyEvSPO4gg3
InChI InChI=1S/C18H15NO2S/c1-21-18(20)15-9-10-16(17-14(15)8-5-11-19-17)22-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKey DPRWDNZGYAJXFI-UHFFFAOYSA-N
Mol Weight 309.38 g/mol
Molecular Formula C18H15NO2S
Exact Mass 309.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7k3kwAgwb9s
Name 8-(benzylthio)quinoline-5-carboxylic acid methyl ester
Alternate Name(s) 8-(Phenylmethylthio)-5-quinolinecarboxylic acid methyl ester Methyl 8-(phenylmethylsulfanyl)quinoline-5-carboxylate Methyl 8-benzylsulfanylquinoline-5-carboxylate
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Formula C18H15NO2S
InChI InChI=1S/C18H15NO2S/c1-21-18(20)15-9-10-16(17-14(15)8-5-11-19-17)22-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKey DPRWDNZGYAJXFI-UHFFFAOYSA-N
Molecular Weight 309.383 g/mol
SMILES c1(c2c(nccc2)c(cc1)SCc1ccccc1)C(=O)OC
SPLASH splash10-0573-5494000000-2693b4a503b482779c2f
Source of Spectrum Y-28-663-12
Wiley ID 1310679