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(4S)-2,6-dimethyl-4-phenyl-5-[(S)-p-tolylsulfinyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester
SpectraBase Compound ID 29aH1mse8dO
InChI InChI=1S/C22H23NO3S/c1-14-10-12-18(13-11-14)27(25)21-16(3)23-15(2)19(22(24)26-4)20(21)17-8-6-5-7-9-17/h5-13,20,23H,1-4H3/t20-,27?/m0/s1
InChIKey SETXRJQHPSKNMO-SVQMELKDSA-N
Mol Weight 381.49 g/mol
Molecular Formula C22H23NO3S
Exact Mass 381.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MnHzxbpvFx
Name (4S)-2,6-dimethyl-4-phenyl-5-[(S)-p-tolylsulfinyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester
Alternate Name(s) (4S)-2,6-dimethyl-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenyl-1,4-dihydropyridine-3-carboxylic acid methyl ester methyl (4S)-2,6-dimethyl-4-phenyl-5-[(S)-p-tolylsulfinyl]-1,4-dihydropyridine-3-carboxylate methyl (4S)-2,6-dimethyl-5-[(S)-(4-methylphenyl)sulfinyl]-4-phenyl-1,4-dihydropyridine-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H23NO3S
InChI InChI=1S/C22H23NO3S/c1-14-10-12-18(13-11-14)27(25)21-16(3)23-15(2)19(22(24)26-4)20(21)17-8-6-5-7-9-17/h5-13,20,23H,1-4H3/t20-,27?/m0/s1
InChIKey SETXRJQHPSKNMO-SVQMELKDSA-N
Molecular Weight 381.490 g/mol
SMILES N1C(=C([C@](C(=C1C)C(=O)OC)(c1ccccc1)[H])[S@](c1ccc(cc1)C)=O)C
SPLASH splash10-03di-0009000000-7c8c7dd6ee414348577c
Source of Spectrum F-53-4286-2
Wiley ID 801255