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2,2'-META-PHENYLENE-BIS-[4-METHYL-5-METHYLTHIO-1,3,4-THIADIAZOLIUM)-DIPERCHLORATE
SpectraBase Compound ID LgaYbhqm6Sm
InChI InChI=1S/C14H16N4S4.2ClHO4/c1-17-13(19-3)21-11(15-17)9-6-5-7-10(8-9)12-16-18(2)14(20-4)22-12;2*2-1(3,4)5/h5-8H,1-4H3;2*(H,2,3,4,5)/q+2;;/p-2
InChIKey NRZNBXULVSZWJJ-UHFFFAOYSA-L
Mol Weight 567.45 g/mol
Molecular Formula C14H16Cl2N4O8S4
Exact Mass 565.922804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxyZuAhOQ4f
Name 2,2'-m-Phenylenebis(4-methyl-5-methylthio-1,3,4-thiadiazolium)diperchlorate
Alternate Name(s) 3-Methyl-5-{3-[3-methyl-2-(methylsulfanyl)-1,3,4-thiadiazol-3-ium-5-yl]phenyl}-2-(methylsulfanyl)-1,3,4-thiadiazol-3-ium diperchlorate
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Formula C14H16Cl2N4O8S4
InChI InChI=1S/C14H16N4S4.2ClHO4/c1-17-13(19-3)21-11(15-17)9-6-5-7-10(8-9)12-16-18(2)14(20-4)22-12;2*2-1(3,4)5/h5-8H,1-4H3;2*(H,2,3,4,5)/q+2;;/p-2
InChIKey NRZNBXULVSZWJJ-UHFFFAOYSA-L
Molecular Weight 567.448 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.c1(n[n+](c(s1)SC)C)-c1cc(-c2sc(SC)[n+](n2)C)ccc1.[Cl]([O-])(=O)(=O)=O
SPLASH splash10-00di-9322000000-ab907fb2824daf005cf4
Source of Spectrum H1-36-1270-3
Wiley ID 755159