John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1ijeZUSABlO

(accessed ).
1-(4-METHYL-4',5'-DIPENTYLTETRATHIAFULVALENYL-5-CARBONYLOXY)-4-(13,13,14,14-TETRACYANO-ANTHRAQUINO-DIMETHANE-2-SULFONYLOXY)-BENZENE
SpectraBase Compound ID 1ijeZUSABlO
InChI InChI=1S/C44H36N4O5S5/c1-4-6-8-14-37-38(15-9-7-5-2)56-44(55-37)43-54-27(3)41(57-43)42(49)52-30-16-18-31(19-17-30)53-58(50,51)32-20-21-35-36(22-32)40(29(25-47)26-48)34-13-11-10-12-33(34)39(35)28(23-45)24-46/h10-13,16-22H,4-9,14-15H2,1-3H3
InChIKey PDYPPWITLWGEHG-UHFFFAOYSA-N
Mol Weight 861.1 g/mol
Molecular Formula C44H36N4O5S5
Exact Mass 860.12893 g/mol
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Source of Spectrum J-66-4523-18
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6
  • 1-(4-Methyl-4',5'-dipentyltetrathiafulvalenyl-5-carbonyloxymethyl)-4-(13,13,14,14-tetracyanoanthraquinodimethane-2-sulfonyloxy)benzene
Title Journal or Book Year
Trialkyltetrathiafulvalene−σ−Tetracyanoanthraquinodimethane (R3TTF−σ−TCNAQ) Diads:  Synthesis, Intramolecular Charge-Transfer Properties, and X-ray Crystal Structure The Journal of Organic Chemistry 2001
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