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2-[(4,6-Diphenyl-2-pyrimidinyl)thio]acetic acid ethyl ester

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

2-[(4,6-Diphenyl-2-pyrimidinyl)thio]acetic acid ethyl ester
SpectraBase Compound ID CrFQbTUKIiC
InChI InChI=1S/C20H18N2O2S/c1-2-24-19(23)14-25-20-21-17(15-9-5-3-6-10-15)13-18(22-20)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKey BTQSDHMOJHUQHN-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 Ev3BCKjMdfK
Name 2-[(4,6-Diphenyl-2-pyrimidinyl)thio]acetic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 350.108899000 u
Formula C20H18N2O2S
InChI InChI=1S/C20H18N2O2S/c1-2-24-19(23)14-25-20-21-17(15-9-5-3-6-10-15)13-18(22-20)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChIKey BTQSDHMOJHUQHN-UHFFFAOYSA-N
Molecular Weight 350.436 g/mol
SMILES C1(=NC(C=2C=CC=CC2)=CC(=N1)C1=CC=CC=C1)SCC(=O)OCC