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2,2',2''-(1,3,5-BENZENETRIYL)-TRIS-[4-METHYL-5-METHYLTHIO-1,3,4-THIADIAZOLIUM]-TRIPERCHLORATE
SpectraBase Compound ID H3W6ntBf53w
InChI InChI=1S/C18H21N6S6.3ClHO4/c1-22-16(25-4)28-13(19-22)10-7-11(14-20-23(2)17(26-5)29-14)9-12(8-10)15-21-24(3)18(27-6)30-15;3*2-1(3,4)5/h7-9H,1-6H3;3*(H,2,3,4,5)/q+3;;;/p-3
InChIKey WXWDYDJLZASFHS-UHFFFAOYSA-K
Mol Weight 812.12 g/mol
Molecular Formula C18H21Cl3N6O12S6
Exact Mass 809.86073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dsW3KY917j
Name 2,2',2''-(1,3,5-BENZENETRIYL)-TRIS-[4-METHYL-5-METHYLTHIO-1,3,4-THIADIAZOLIUM]-TRIPERCHLORATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21Cl3N6O12S6
InChI InChI=1S/C18H21N6S6.3ClHO4/c1-22-16(25-4)28-13(19-22)10-7-11(14-20-23(2)17(26-5)29-14)9-12(8-10)15-21-24(3)18(27-6)30-15;3*2-1(3,4)5/h7-9H,1-6H3;3*(H,2,3,4,5)/q+3;;;/p-3
InChIKey WXWDYDJLZASFHS-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 812.117 g/mol
Solvent Unknown
Source File Reference UWCP6794