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Spiro[3'-(4"-Methylphenyl)-5'-(4"-chlorophenyl)pyrimidine-3,5-diphenyl-4(1H), 2'(3'H)-[1,3,4]thiadiazole]
SpectraBase Compound ID 1fRzOg14Dok
InChI InChI=1S/C30H23ClN4S/c1-22-12-18-27(19-13-22)35-30(36-29(33-35)24-14-16-25(31)17-15-24)28(23-8-4-2-5-9-23)20-34(21-32-30)26-10-6-3-7-11-26/h2-21H,1H3
InChIKey BKKOSVAJQPBETA-UHFFFAOYSA-N
Mol Weight 507.06 g/mol
Molecular Formula C30H23ClN4S
Exact Mass 506.133196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DR9BPVcp0dZ
Name Spiro[3'-(4"-Methylphenyl)-5'-(4"-chlorophenyl)pyrimidine-3,5-diphenyl-4(1H), 2'(3'H)-[1,3,4]thiadiazole]
Alternate Name(s) 3-(4-Chlorophenyl)-1-(4-methylphenyl)-8,10-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.5]deca-2,6,9-triene Spiro[3'-(4''-Methylphenyl)-5'-(4''-chlorophenyl)pyrimidine-3,5-diphenyl-4(1H), 2'(3'H)-[1,3,4]thiadiazole]
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Formula C30H23ClN4S
InChI InChI=1S/C30H23ClN4S/c1-22-12-18-27(19-13-22)35-30(36-29(33-35)24-14-16-25(31)17-15-24)28(23-8-4-2-5-9-23)20-34(21-32-30)26-10-6-3-7-11-26/h2-21H,1H3
InChIKey BKKOSVAJQPBETA-UHFFFAOYSA-N
Molecular Weight 507.055 g/mol
SMILES C12(SC(c3ccc(cc3)Cl)=NN1c1ccc(cc1)C)C(=CN(C=N2)c1ccccc1)c1ccccc1
SPLASH splash10-0007-9004000000-857be1cc0800d25f2b78
Source of Spectrum U-1994-1007-8
Wiley ID 766194