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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6qLRoQyCy6
Name 2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetic acid ethyl ester
Alternate Name(s) 2-[(4,6-diphenylpyrimidin-2-yl)thio]acetic acid ethyl ester Ethyl 2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetate Ethyl 2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoate
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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(-c2ccccc2)cc(n1)-c1ccccc1)SCC(=O)OCC
SPLASH splash10-004i-3491000000-3211374a094009398ecb
Wiley ID 1451211