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2-(4-Methyl-4',5'-dipentyltetrathiafulvalenyl-5-carbonyloxymethyl)-13,13,14,14-tetracyanoanthraquinodimethane
SpectraBase Compound ID H16lEoEC1Nr
InChI InChI=1S/C39H34N4O2S4/c1-4-6-8-14-32-33(15-9-7-5-2)48-39(47-32)38-46-24(3)36(49-38)37(44)45-23-25-16-17-30-31(18-25)35(27(21-42)22-43)29-13-11-10-12-28(29)34(30)26(19-40)20-41/h10-13,16-18H,4-9,14-15,23H2,1-3H3
InChIKey QTACAQRAKVINAJ-UHFFFAOYSA-N
Mol Weight 719.0 g/mol
Molecular Formula C39H34N4O2S4
Exact Mass 718.156461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPW22ry750o
Name 2-(4-METHYL-4',5'-DIPENTYL-TETRATHIAFULVALENYL-5-CARBONYLOXYMETHYL)-13,13,14,14-TETRACYANOANTHRAQUINO-DIMETHANE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H34N4O2S4
InChI InChI=1S/C39H34N4O2S4/c1-4-6-8-14-32-33(15-9-7-5-2)48-39(47-32)38-46-24(3)36(49-38)37(44)45-23-25-16-17-30-31(18-25)35(27(21-42)22-43)29-13-11-10-12-28(29)34(30)26(19-40)20-41/h10-13,16-18H,4-9,14-15,23H2,1-3H3
InChIKey QTACAQRAKVINAJ-UHFFFAOYSA-N
Literature Reference Author D.F.PEREPICHKA,M.R.BRYCE,A.S.BATSANOV,J.A.K.HOWARD,A.O.CUELL O,M.GRAY,V.M.ROTELLO
Literature Reference Citation J.ORG.CHEM.,66,4517(2001)
Literature Reference DOI 10.1021/jo001576+
Molecular Weight 718.965 g/mol
Solvent ACETONE-D6
Source File Reference UWMS28029