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1-(4-Methylbenzyl)-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID ETcswrnujI8
InChI InChI=1S/C24H25NO4S/c1-16-5-7-17(8-6-16)13-25-14-20(23(26)28-2)22(21(15-25)24(27)29-3)18-9-11-19(30-4)12-10-18/h5-12,14-15,22H,13H2,1-4H3
InChIKey NHYUEMPZPIINQL-UHFFFAOYSA-N
Mol Weight 423.53 g/mol
Molecular Formula C24H25NO4S
Exact Mass 423.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISYb3RZ0mlM
Name 1-(4-Methylbenzyl)-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 1-[(4-methylphenyl)methyl]-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-[(4-methylphenyl)methyl]-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 4-(4-methylsulfanylphenyl)-1-(p-tolylmethyl)-4H-pyridine-3,5-dicarboxylate
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Formula C24H25NO4S
InChI InChI=1S/C24H25NO4S/c1-16-5-7-17(8-6-16)13-25-14-20(23(26)28-2)22(21(15-25)24(27)29-3)18-9-11-19(30-4)12-10-18/h5-12,14-15,22H,13H2,1-4H3
InChIKey NHYUEMPZPIINQL-UHFFFAOYSA-N
Molecular Weight 423.527 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)Cc1ccc(cc1)C)c1ccc(cc1)SC)C(=O)OC
SPLASH splash10-0a4i-2901000000-fa345acfedf5436aa7f8
Wiley ID 1462317