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2,7,7-trimethyl-4-(2-methylsulfinylethyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID KB3loRu2oHc
InChI InChI=1S/C17H25NO4S/c1-10-14(16(20)22-4)11(6-7-23(5)21)15-12(18-10)8-17(2,3)9-13(15)19/h11,18H,6-9H2,1-5H3
InChIKey WJRLAIZHLOAYBS-UHFFFAOYSA-N
Mol Weight 339.45 g/mol
Molecular Formula C17H25NO4S
Exact Mass 339.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6flkSvKNOSz
Name 2,7,7-trimethyl-4-(2-methylsulfinylethyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester
Alternate Name(s) 5-keto-2,7,7-trimethyl-4-(2-methylsulfinylethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Methyl 2,7,7-trimethyl-4-(2-methylsulfinylethyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Methyl 2,7,7-trimethyl-4-(2-methylsulfinylethyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
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Formula C17H25NO4S
InChI InChI=1S/C17H25NO4S/c1-10-14(16(20)22-4)11(6-7-23(5)21)15-12(18-10)8-17(2,3)9-13(15)19/h11,18H,6-9H2,1-5H3
InChIKey WJRLAIZHLOAYBS-UHFFFAOYSA-N
Molecular Weight 339.450 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)CCS(=O)C)C(=O)OC)C
SPLASH splash10-00di-0009000000-cd39735bb5a6bb197c18
Source of Spectrum Y4-89-734-2
Wiley ID 1550359