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Ethyl 2-(methylthio)-4,6-diphenylpyrimidine-5-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B13lze0qoU4
Name Ethyl 2-(methylthio)-4,6-diphenylpyrimidine-5-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 350.108899000 u
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
Molecular Weight 350.436 g/mol
SMILES C1(C(=O)OCC)=C(C2=CC=CC=C2)N=C(N=C1C1=CC=CC=C1)SC