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1-(2,4-dinitrophenyl)amino-4-(p-tolyl)-2-methylthiopyrimidinium iodide
SpectraBase Compound ID Fj5dqDWFRsp
InChI InChI=1S/C18H16N5O4S.HI/c1-12-3-5-13(6-4-12)15-9-10-21(18(19-15)28-2)20-16-8-7-14(22(24)25)11-17(16)23(26)27;/h3-11,20H,1-2H3;1H/q+1;/p-1
InChIKey WTWDBXSRFVGSQJ-UHFFFAOYSA-M
Mol Weight 525.32 g/mol
Molecular Formula C18H16IN5O4S
Exact Mass 524.99677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 354Y03qgz5l
Name 1-(2,4-dinitrophenyl)amino-4-(p-tolyl)-2-methylthiopyrimidinium iodide
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Formula C18H16IN5O4S
InChI InChI=1S/C18H16N5O4S.HI/c1-12-3-5-13(6-4-12)15-9-10-21(18(19-15)28-2)20-16-8-7-14(22(24)25)11-17(16)23(26)27;/h3-11,20H,1-2H3;1H/q+1;/p-1
InChIKey WTWDBXSRFVGSQJ-UHFFFAOYSA-M
Molecular Weight 525.321 g/mol
SMILES [I-].N(c1c(N(=O)=O)cc(N(=O)=O)cc1)[n+]1c(nc(cc1)-c1ccc(C)cc1)SC
SPLASH splash10-016r-0940000000-307340df23b83c4eb074
Source of Spectrum AH-120-754-3
Synonyms 1-(2,4-dinitroanilino)-4-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-1-ium iodide
Wiley ID 1402650