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(4R)-2,4,6-trimethyl-5-[(S)-(4-methylphenyl)sulfinyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester
SpectraBase Compound ID KNAnPAqgZeo
InChI InChI=1S/C17H21NO3S/c1-10-6-8-14(9-7-10)22(20)16-11(2)15(17(19)21-5)12(3)18-13(16)4/h6-9,11,18H,1-5H3/t11-,22?/m1/s1
InChIKey MXKSSTBNCFLAQR-XFNZEKPQSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61Qmz5EDigX
Name (4R)-2,4,6-trimethyl-5-[(S)-(4-methylphenyl)sulfinyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-10-6-8-14(9-7-10)22(20)16-11(2)15(17(19)21-5)12(3)18-13(16)4/h6-9,11,18H,1-5H3/t11-,22?/m1/s1
InChIKey MXKSSTBNCFLAQR-XFNZEKPQSA-N
Molecular Weight 319.419 g/mol
SMILES N1C(=C([C@](C(=C1C)[S@](c1ccc(cc1)C)=O)(C)[H])C(=O)OC)C
SPLASH splash10-0udi-0009000000-33d37fc3eccbd78aa6a7
Source of Spectrum F-53-4288-2
Synonyms (4R)-2,4,6-trimethyl-5-[(S)-p-tolylsulfinyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester methyl (4R)-2,4,6-trimethyl-5-[(S)-(4-methylphenyl)sulfinyl]-1,4-dihydropyridine-3-carboxylate methyl (4R)-2,4,6-trimethyl-5-[(S)-p-tolylsulfinyl]-1,4-dihydropyridine-3-carboxylate
Wiley ID 801246