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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5EdCvFP3BG2
Name 2,2'-META-PHENYLENE-BIS-[4-METHYL-5-METHYLTHIO-1,3,4-THIADIAZOLIUM)-DIPERCHLORATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author P.MOLINA,A.TARRAGA,I.DIAZ,A.ESPINOSA,C.GASPAR
Literature Reference Citation HETEROCYCLES,36,1263(1993)
Literature Reference DOI 10.3987/COM-92-6275
Molecular Weight 567.449 g/mol
Solvent Unknown
Source File Reference UWCP6792