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4-([1,1'-biphenyl]-4-yl)-6-(3,4-dimethoxyphenyl)pyrimidine-2(1H)-thione
SpectraBase Compound ID DbY94KDDvGU
InChI InChI=1S/C24H20N2O2S/c1-27-22-13-12-19(14-23(22)28-2)21-15-20(25-24(29)26-21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,25,26,29)
InChIKey SDTMINBZDZYYLO-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H20N2O2S
Exact Mass 400.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CT4lT2na2Zi
Name 4-([1,1'-biphenyl]-4-yl)-6-(3,4-dimethoxyphenyl)pyrimidine-2(1H)-thione
Appearance Green crystals
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Formula C24H20N2O2S
InChI InChI=1S/C24H20N2O2S/c1-27-22-13-12-19(14-23(22)28-2)21-15-20(25-24(29)26-21)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,25,26,29)
InChIKey SDTMINBZDZYYLO-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4017
Molecular Weight 400.496 g/mol
SMILES N1C(=CC(=NC1=S)c1ccc(cc1)-c1ccccc1)c1cc(c(cc1)OC)OC
SPLASH splash10-0f7k-1139100000-b03a218a6daaa14e1b6c
Source of Spectrum Y-57-SM48-19
Wiley ID 1860298