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1-(o-Chlorophenyl)-4-methyl-6-phenyl-2[1H]pyrimidinethione
SpectraBase Compound ID B4hsuHnYQGO
InChI InChI=1S/C17H13ClN2S/c1-12-11-16(13-7-3-2-4-8-13)20(17(21)19-12)15-10-6-5-9-14(15)18/h2-11H,1H3
InChIKey REKGJDFMIPMNPQ-UHFFFAOYSA-N
Mol Weight 312.82 g/mol
Molecular Formula C17H13ClN2S
Exact Mass 312.048797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bbDrBQ5PF
Name 1-(o-Chlorophenyl)-4-methyl-6-phenyl-2[1H]pyrimidinethione
Comments Less than 3 mono-isotopic peaks
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Formula C17H13ClN2S
InChI InChI=1S/C17H13ClN2S/c1-12-11-16(13-7-3-2-4-8-13)20(17(21)19-12)15-10-6-5-9-14(15)18/h2-11H,1H3
InChIKey REKGJDFMIPMNPQ-UHFFFAOYSA-N
Molecular Weight 312.818 g/mol
SMILES C1(N(C(=CC(=N1)C)c1ccccc1)c1c(Cl)cccc1)=S
SPLASH splash10-004i-0091000000-6f04b04980486c480986
Source of Spectrum O1-60-2755-4
Synonyms 1-(2-chlorophenyl)-4-methyl-6-phenyl-2(1H)-pyrimidinethione
Wiley ID 1592267