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Octakis(octylthio)-9,10-anthraquinone

View entire compound with spectra: 1 NMR

Octakis(octylthio)-9,10-anthraquinone
SpectraBase Compound ID 2lPCfij5wA0
InChI InChI=1S/C78H136O2S8/c1-9-17-25-33-41-49-57-81-71-65-66(72(82-58-50-42-34-26-18-10-2)76(86-62-54-46-38-30-22-14-6)75(71)85-61-53-45-37-29-21-13-5)70(80)68-67(69(65)79)73(83-59-51-43-35-27-19-11-3)77(87-63-55-47-39-31-23-15-7)78(88-64-56-48-40-32-24-16-8)74(68)84-60-52-44-36-28-20-12-4/h9-64H2,1-8H3
InChIKey QYJDDOIIBBDOBG-UHFFFAOYSA-N
Mol Weight 1362.4 g/mol
Molecular Formula C78H136O2S8
Exact Mass 1360.830603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OtHhp7M7ta
Name Octakis(octylthio)-9,10-anthraquinone
CAS Registry Number 94814-97-8
Comments reassigned
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C78H136O2S8
InChI InChI=1S/C78H136O2S8/c1-9-17-25-33-41-49-57-81-71-65-66(72(82-58-50-42-34-26-18-10-2)76(86-62-54-46-38-30-22-14-6)75(71)85-61-53-45-37-29-21-13-5)70(80)68-67(69(65)79)73(83-59-51-43-35-27-19-11-3)77(87-63-55-47-39-31-23-15-7)78(88-64-56-48-40-32-24-16-8)74(68)84-60-52-44-36-28-20-12-4/h9-64H2,1-8H3
InChIKey QYJDDOIIBBDOBG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference W. Poules, K. Praefcke, Chemiker-Zeitung 108, 369 (1984).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3