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Methyl 2-(Hydroxymethyl)-4,6-dimethyl-5-(p-tolylsulfinyl)-1,4-dihydropyridine-3-carboxylate
SpectraBase Compound ID JPJpOAEWHcC
InChI InChI=1S/C17H21NO4S/c1-10-5-7-13(8-6-10)23(21)16-11(2)15(17(20)22-4)14(9-19)18-12(16)3/h5-8,11,18-19H,9H2,1-4H3
InChIKey VWUNLAVFSCCKMN-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVrccjH36Eq
Name Methyl 2-(Hydroxymethyl)-4,6-dimethyl-5-(p-tolylsulfinyl)-1,4-dihydropyridine-3-carboxylate
Alternate Name(s) Methyl 2-(hydroxymethyl)-4,6-dimethyl-5-[(4-methylphenyl)sulfinyl]-1,4-dihydro-3-pyridinecarboxylate
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Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-10-5-7-13(8-6-10)23(21)16-11(2)15(17(20)22-4)14(9-19)18-12(16)3/h5-8,11,18-19H,9H2,1-4H3
InChIKey VWUNLAVFSCCKMN-UHFFFAOYSA-N
Molecular Weight 335.418 g/mol
SMILES N1C(=C(C(C(=C1CO)C(=O)OC)C)S(=O)c1ccc(cc1)C)C
SPLASH splash10-03e9-0900000000-1b07063850ec413beee4
Source of Spectrum E1-44-459-7
Wiley ID 1553342