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4,6-bis(p-tolylthio)pyrimidine
SpectraBase Compound ID LOggZChK8OW
InChI InChI=1S/C18H16N2S2/c1-13-3-7-15(8-4-13)21-17-11-18(20-12-19-17)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKey DPVWYPYKFKLTAC-UHFFFAOYSA-N
Mol Weight 324.46 g/mol
Molecular Formula C18H16N2S2
Exact Mass 324.075491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUmWoyDGR4K
Name 4,6-bis(p-tolylthio)pyrimidine
Alternate Name(s) 4,6-bis[(4-methylphenyl)sulfanyl]pyrimidine 4,6-bis[(4-methylphenyl)thio]pyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C18H16N2S2
InChI InChI=1S/C18H16N2S2/c1-13-3-7-15(8-4-13)21-17-11-18(20-12-19-17)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKey DPVWYPYKFKLTAC-UHFFFAOYSA-N
Molecular Weight 324.460 g/mol
SMILES c1nc(cc(n1)Sc1ccc(cc1)C)Sc1ccc(cc1)C
SPLASH splash10-00di-0009000000-f13f1c36a488f251e904
Source of Spectrum Y-39-349-5
Wiley ID 1528392