John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CuW6BFsHuDz SpectraBase Spectrum ID=5ScwShFBggG

(accessed ).
4,5-BIS-(4-PICOLYLTHIO)-4',5'-BENZOTETRATHIAFULVALENE
SpectraBase Compound ID CuW6BFsHuDz
InChI InChI=1S/C22H16N2S6/c1-2-4-18-17(3-1)27-21(28-18)22-29-19(25-13-15-5-9-23-10-6-15)20(30-22)26-14-16-7-11-24-12-8-16/h1-12H,13-14H2
InChIKey CDLVFWHEIGOJBW-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C22H16N2S6
Exact Mass 499.963779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ScwShFBggG
Name 4,5-BIS-(4-PICOLYLTHIO)-4',5'-BENZOTETRATHIAFULVALENE
Compound Number 4B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H16N2S6
InChI InChI=1S/C22H16N2S6/c1-2-4-18-17(3-1)27-21(28-18)22-29-19(25-13-15-5-9-23-10-6-15)20(30-22)26-14-16-7-11-24-12-8-16/h1-12H,13-14H2
InChIKey CDLVFWHEIGOJBW-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 500.742 g/mol
Sample ID 32848
Solvent CDCl3
SpectraBase Batch ID JIwmO9SRkrq