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Ethyl 2-(Methylthio)-4,6-diphenylpyrimidine-5-carboxylate
SpectraBase Compound ID Ho46bDz8LhP
InChI InChI=1S/C20H18N2O2S/c1-3-24-19(23)16-17(14-10-6-4-7-11-14)21-20(25-2)22-18(16)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKey ZJATZAGQJRRTFR-UHFFFAOYSA-N
Mol Weight 350.44 g/mol
Molecular Formula C20H18N2O2S
Exact Mass 350.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVke5mov4Y0
Name Ethyl 2-(Methylthio)-4,6-diphenylpyrimidine-5-carboxylate
Alternate Name(s) 2-(methylthio)-4,6-diphenyl-5-pyrimidinecarboxylic acid ethyl ester Ethyl 2-methylsulfanyl-4,6-diphenylpyrimidine-5-carboxylate Ethyl 2-methylsulfanyl-4,6-diphenyl-pyrimidine-5-carboxylate
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Formula C20H18N2O2S
InChI InChI=1S/C20H18N2O2S/c1-3-24-19(23)16-17(14-10-6-4-7-11-14)21-20(25-2)22-18(16)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKey ZJATZAGQJRRTFR-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo102062u
Molecular Weight 350.436 g/mol
SMILES c1(C(=O)OCC)c(-c2ccccc2)nc(nc1-c1ccccc1)SC
SPLASH splash10-0fi0-1339000000-a958c2538f55ed73973f
Source of Spectrum J-76-1447-4b
Wiley ID 1744693