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Benzoic acid, 3-[[2-methoxy-4-(methylthio)benzoyl]amino]-4-(4-methyl-1-piperidinyl)-, methyl ester
SpectraBase Compound ID LEhFnlaSI0h
InChI InChI=1S/C23H28N2O4S/c1-15-9-11-25(12-10-15)20-8-5-16(23(27)29-3)13-19(20)24-22(26)18-7-6-17(30-4)14-21(18)28-2/h5-8,13-15H,9-12H2,1-4H3,(H,24,26)
InChIKey LKMHBJCRKUJZJZ-UHFFFAOYSA-N
Mol Weight 428.55 g/mol
Molecular Formula C23H28N2O4S
Exact Mass 428.176979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiWZ1cuVimh
Name Benzoic acid, 3-[[2-methoxy-4-(methylthio)benzoyl]amino]-4-(4-methyl-1-piperidinyl)-, methyl ester
Alternate Name(s) Methyl 3-{[2-methoxy-4-(methylsulfanyl)benzene]amido}-4-(4-methylpiperidin-1-yl)benzoate 3-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]-4-(4-methyl-1-piperidinyl)benzoic acid methyl ester Methyl 3-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoate Methyl 3-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]-4-(4-methyl-1-piperidyl)benzoate Methyl 3-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]-4-(4-methylpiperidin-1-yl)benzoate
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Formula C23H28N2O4S
InChI InChI=1S/C23H28N2O4S/c1-15-9-11-25(12-10-15)20-8-5-16(23(27)29-3)13-19(20)24-22(26)18-7-6-17(30-4)14-21(18)28-2/h5-8,13-15H,9-12H2,1-4H3,(H,24,26)
InChIKey LKMHBJCRKUJZJZ-UHFFFAOYSA-N
Molecular Weight 428.547 g/mol
SMILES N(c1c(N2CCC(CC2)C)ccc(C(=O)OC)c1)C(c1c(cc(cc1)SC)OC)=O
SPLASH splash10-001i-2920000000-a7cd713cd12fad69fc3c
Source of Spectrum IY-2-4968-9
Wiley ID 1657672