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2-Methyl-4-(4-methylsulfanyl-phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid sec-butyl ester
SpectraBase Compound ID B7t3zN21eL
InChI InChI=1S/C22H27NO3S/c1-5-13(2)26-22(25)19-14(3)23-17-7-6-8-18(24)21(17)20(19)15-9-11-16(27-4)12-10-15/h9-13,20,23H,5-8H2,1-4H3
InChIKey FAYAZYOTHWAQFX-UHFFFAOYSA-N
Mol Weight 385.52 g/mol
Molecular Formula C22H27NO3S
Exact Mass 385.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Hy5L33Y1O7
Name 2-Methyl-4-(4-methylsulfanyl-phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid sec-butyl ester
CAS Registry Number 347312-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO3S
InChI InChI=1S/C22H27NO3S/c1-5-13(2)26-22(25)19-14(3)23-17-7-6-8-18(24)21(17)20(19)15-9-11-16(27-4)12-10-15/h9-13,20,23H,5-8H2,1-4H3
InChIKey FAYAZYOTHWAQFX-UHFFFAOYSA-N
Molecular Weight 385.522 g/mol
SMILES N1C2=C(C(C(=C1C)C(OC(CC)C)=O)c1ccc(cc1)SC)C(CCC2)=O
SPLASH splash10-0bt9-3492000000-fd7fe8b274426adb7823
Synonyms 2-Methyl-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butan-2-yl ester 5-keto-2-methyl-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid sec-butyl ester Butan-2-yl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Butan-2-yl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate sec-butyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Sec-butyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Wiley ID 1458976