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6-(4-Chlorophenyl)-2,5,5-triphenyl-5,8-dihydro-6H-azeto[1,2-a][1,3]thiazolo[4,5-d]pyrimidine
SpectraBase Compound ID EKw8a20GvUT
InChI InChI=1S/C31H22ClN3S/c32-25-18-16-21(17-19-25)27-31(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-34-28-26(20-35(27)30)36-29(33-28)22-10-4-1-5-11-22/h1-19,27H,20H2
InChIKey BRNLSRNQLKMTDH-UHFFFAOYSA-N
Mol Weight 504.05 g/mol
Molecular Formula C31H22ClN3S
Exact Mass 503.122297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0T85yNtJbK
Name 6-(4-Chlorophenyl)-2,5,5-triphenyl-5,8-dihydro-6H-azeto[1,2-a][1,3]thiazolo[4,5-d]pyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C31H22ClN3S
InChI InChI=1S/C31H22ClN3S/c32-25-18-16-21(17-19-25)27-31(23-12-6-2-7-13-23,24-14-8-3-9-15-24)30-34-28-26(20-35(27)30)36-29(33-28)22-10-4-1-5-11-22/h1-19,27H,20H2
InChIKey BRNLSRNQLKMTDH-UHFFFAOYSA-N
Molecular Weight 504.051 g/mol
SMILES C12=Nc3c(CN2C(C1(c1ccccc1)c1ccccc1)c1ccc(cc1)Cl)sc(n3)-c1ccccc1
SPLASH splash10-0udi-0000090000-c7f45bcda545d3fc146d
Source of Spectrum U1-2002-4227-16
Wiley ID 1523625