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4,5-BIS-(3-PICOLYLTHIO)-4',5'-TRIMETHYLENEDITHIOTETRATHIAFULVALENE

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4,5-BIS-(3-PICOLYLTHIO)-4',5'-TRIMETHYLENEDITHIOTETRATHIAFULVALENE
SpectraBase Compound ID A12Ucj1iXW6
InChI InChI=1S/C21H18N2S8/c1-4-14(10-22-6-1)12-26-18-19(27-13-15-5-2-7-23-11-15)31-21(30-18)20-28-16-17(29-20)25-9-3-8-24-16/h1-2,4-7,10-11H,3,8-9,12-13H2
InChIKey JPVBSIQAXDOKEC-UHFFFAOYSA-N
Mol Weight 554.9 g/mol
Molecular Formula C21H18N2S8
Exact Mass 553.923568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ITq00ZP6p8
Name 4,5-BIS-(3-PICOLYLTHIO)-4',5'-TRIMETHYLENEDITHIOTETRATHIAFULVALENE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2S8
InChI InChI=1S/C21H18N2S8/c1-4-14(10-22-6-1)12-26-18-19(27-13-15-5-2-7-23-11-15)31-21(30-18)20-28-16-17(29-20)25-9-3-8-24-16/h1-2,4-7,10-11H,3,8-9,12-13H2
InChIKey JPVBSIQAXDOKEC-UHFFFAOYSA-N
Literature Reference Author N.BENBELLAT,Y.L.GAL,S.GOLHEN,A.GOUASMIA,L.OUAHAB,J.M.FABRE
Literature Reference Citation EUR.J.ORG.CHEM.,4237(2006)
Molecular Weight 554.867 g/mol
Sample ID 32845
Solvent CDCl3