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9,10-BIS-[BIS-(2-AZULENYL-ETHYNYL)-METHYLENE]-9,10-DIHYDRO-ANTHRACENE
SpectraBase Compound ID Ac0ylfbh4DX
InChI InChI=1S/C64H36/c1-5-17-45-29-33-49(55(45)21-9-1)37-41-53(42-38-50-34-30-46-18-6-2-10-22-56(46)50)63-59-25-13-15-27-61(59)64(62-28-16-14-26-60(62)63)54(43-39-51-35-31-47-19-7-3-11-23-57(47)51)44-40-52-36-32-48-20-8-4-12-24-58(48)52/h1-36H
InChIKey PVYNCCBONFYXCF-UHFFFAOYSA-N
Mol Weight 805.0 g/mol
Molecular Formula C64H36
Exact Mass 804.281701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DoqEnHMVfAB
Name 9,10-BIS-[BIS-(2-AZULENYL-ETHYNYL)-METHYLENE]-9,10-DIHYDRO-ANTHRACENE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H36
InChI InChI=1S/C64H36/c1-5-17-45-29-33-49(55(45)21-9-1)37-41-53(42-38-50-34-30-46-18-6-2-10-22-56(46)50)63-59-25-13-15-27-61(59)64(62-28-16-14-26-60(62)63)54(43-39-51-35-31-47-19-7-3-11-23-57(47)51)44-40-52-36-32-48-20-8-4-12-24-58(48)52/h1-36H
InChIKey PVYNCCBONFYXCF-UHFFFAOYSA-N
Literature Reference Author T.SHOJI,E.SHIMOMURA,M.MARUYAMA,S.ITO,T.OKUJIMA,N.MORITA
Literature Reference Citation EUR.J.ORG.CHEM.,2013,957(2013)
Literature Reference DOI 10.1002/ejoc.201201397
Molecular Weight 804.990 g/mol
Solvent CDCl3
Source File Reference UWBT20637