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1-(4-Ethoxyphenyl)-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID 5KjBvc1BUCU
InChI InChI=1S/C26H29NO5S/c1-5-30-20-12-10-19(11-13-20)27-16-22(25(28)31-6-2)24(23(17-27)26(29)32-7-3)18-8-14-21(33-4)15-9-18/h8-17,24H,5-7H2,1-4H3
InChIKey ZKMPXZKXNJZYQT-UHFFFAOYSA-N
Mol Weight 467.58 g/mol
Molecular Formula C26H29NO5S
Exact Mass 467.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QFD992QW2b
Name 1-(4-Ethoxyphenyl)-4-[4-(methylthio)phenyl]-4H-pyridine-3,5-dicarboxylic acid diethyl ester
Alternate Name(s) 4-[4-(methylthio)phenyl]-1-p-phenetyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Diethyl 1-(4-ethoxyphenyl)-4-(4-methylsulfanylphenyl)-4H-pyridine-3,5-dicarboxylate
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Formula C26H29NO5S
InChI InChI=1S/C26H29NO5S/c1-5-30-20-12-10-19(11-13-20)27-16-22(25(28)31-6-2)24(23(17-27)26(29)32-7-3)18-8-14-21(33-4)15-9-18/h8-17,24H,5-7H2,1-4H3
InChIKey ZKMPXZKXNJZYQT-UHFFFAOYSA-N
Molecular Weight 467.580 g/mol
SMILES C1(=CN(c2ccc(cc2)OCC)C=C(C1c1ccc(cc1)SC)C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-0119200000-a80cbe6a760dc019f2f8
Wiley ID 1454431