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2,2',2''-(ALPHA,ALPHA',ALPHA''-MESITYLENETRIYL)-TRIS-[4-METHYL-5-METHYLTHIO-1,3,4-THIADIAZOLIUM]-TRIPERCHLORATE
SpectraBase Compound ID H8EGeLiW7d
InChI InChI=1S/C21H27N6S6.3ClHO4/c1-25-19(28-4)31-16(22-25)10-13-7-14(11-17-23-26(2)20(29-5)32-17)9-15(8-13)12-18-24-27(3)21(30-6)33-18;3*2-1(3,4)5/h7-9H,10-12H2,1-6H3;3*(H,2,3,4,5)/q+3;;;/p-3
InChIKey KERJBQMYUMTVTN-UHFFFAOYSA-K
Mol Weight 854.2 g/mol
Molecular Formula C21H27Cl3N6O12S6
Exact Mass 851.90768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CdhoEz4MtVb
Name 2,2',2''-(ALPHA,ALPHA',ALPHA''-MESITYLENETRIYL)-TRIS-[4-METHYL-5-METHYLTHIO-1,3,4-THIADIAZOLIUM]-TRIPERCHLORATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27Cl3N6O12S6
InChI InChI=1S/C21H27N6S6.3ClHO4/c1-25-19(28-4)31-16(22-25)10-13-7-14(11-17-23-26(2)20(29-5)32-17)9-15(8-13)12-18-24-27(3)21(30-6)33-18;3*2-1(3,4)5/h7-9H,10-12H2,1-6H3;3*(H,2,3,4,5)/q+3;;;/p-3
InChIKey KERJBQMYUMTVTN-UHFFFAOYSA-K
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 854.197 g/mol
Solvent Unknown
Source File Reference UWCP6795