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2,2'-(2,5-THIOPHENEDIYL)-BIS-[4-METHYL-5-METHYLTHIO-1,3,4-THIADIAZOLIUM]-DIPERCHLORATE
SpectraBase Compound ID Hr51Q0roydV
InChI InChI=1S/C12H14N4S5.2ClHO4/c1-15-11(17-3)20-9(13-15)7-5-6-8(19-7)10-14-16(2)12(18-4)21-10;2*2-1(3,4)5/h5-6H,1-4H3;2*(H,2,3,4,5)/q+2;;/p-2
InChIKey ZMVVZSLUHITSEV-UHFFFAOYSA-L
Mol Weight 573.5 g/mol
Molecular Formula C12H14Cl2N4O8S5
Exact Mass 571.879225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZKrPWtEVvK
Name 2,2'-(2,5-THIOPHENEDIYL)-BIS-[4-METHYL-5-METHYLTHIO-1,3,4-THIADIAZOLIUM]-DIPERCHLORATE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14Cl2N4O8S5
InChI InChI=1S/C12H14N4S5.2ClHO4/c1-15-11(17-3)20-9(13-15)7-5-6-8(19-7)10-14-16(2)12(18-4)21-10;2*2-1(3,4)5/h5-6H,1-4H3;2*(H,2,3,4,5)/q+2;;/p-2
InChIKey ZMVVZSLUHITSEV-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 573.471 g/mol
Solvent Unknown
Source File Reference UWCP6793