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Ethyl 4-(4-fluorophenyl)-2-(methylthio)-6-phenylpyrimidine-5-carboxylate
SpectraBase Compound ID 3eiWd6WsqDI
InChI InChI=1S/C20H17FN2O2S/c1-3-25-19(24)16-17(13-7-5-4-6-8-13)22-20(26-2)23-18(16)14-9-11-15(21)12-10-14/h4-12H,3H2,1-2H3
InChIKey VWRIPKPTTNGYAC-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C20H17FN2O2S
Exact Mass 368.099477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BebYqzx5i9
Name Ethyl 4-(4-fluorophenyl)-2-(methylthio)-6-phenylpyrimidine-5-carboxylate
Alternate Name(s) 4-(4-fluorophenyl)-2-(methylthio)-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester Ethyl 4-(4-fluorophenyl)-2-methylsulfanyl-6-phenylpyrimidine-5-carboxylate Ethyl 4-(4-fluorophenyl)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carboxylate
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Formula C20H17FN2O2S
InChI InChI=1S/C20H17FN2O2S/c1-3-25-19(24)16-17(13-7-5-4-6-8-13)22-20(26-2)23-18(16)14-9-11-15(21)12-10-14/h4-12H,3H2,1-2H3
InChIKey VWRIPKPTTNGYAC-UHFFFAOYSA-N
Molecular Weight 368.426 g/mol
SMILES c1(c(nc(nc1-c1ccccc1)SC)-c1ccc(cc1)F)C(=O)OCC
SPLASH splash10-014j-6339000000-d37f72ad4c7a8458d24d
Source of Spectrum F-67-5619-4g
Wiley ID 1687162