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2-Ethylsulfanylethyl 4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

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2-Ethylsulfanylethyl 4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SpectraBase Compound ID IXq1MqtMZ8d
InChI InChI=1S/C22H26BrNO4S/c1-4-29-11-10-28-22(26)19-13(2)24-16-6-5-7-17(25)21(16)20(19)15-12-14(23)8-9-18(15)27-3/h8-9,12,20,24H,4-7,10-11H2,1-3H3
InChIKey AWTISMPWJCKFAF-UHFFFAOYSA-N
Mol Weight 480.42 g/mol
Molecular Formula C22H26BrNO4S
Exact Mass 479.076592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrbjJyxuL9n
Name 2-Ethylsulfanylethyl 4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Alternate Name(s) 2-Ethylsulfanylethyl 4-(5-bromo-2-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 4-(5-bromo-2-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester
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Formula C22H26BrNO4S
InChI InChI=1S/C22H26BrNO4S/c1-4-29-11-10-28-22(26)19-13(2)24-16-6-5-7-17(25)21(16)20(19)15-12-14(23)8-9-18(15)27-3/h8-9,12,20,24H,4-7,10-11H2,1-3H3
InChIKey AWTISMPWJCKFAF-UHFFFAOYSA-N
Molecular Weight 480.417 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)c1c(ccc(c1)Br)OC)C(=O)OCCSCC)C
SPLASH splash10-000f-8794300000-7e2cfef2392027211a82
Wiley ID 1454998