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9,10-BIS-[[BIS-(5-ISOPROPYL-3-METHOXYCARBONYL-1-AZULENYL)-ETHYNYL]-METHYLENE]-9,10-DIHYDRO-ANTHRACENE
SpectraBase Compound ID AoqK564QSTw
InChI InChI=1S/C84H68O8/c1-49(2)55-21-17-29-63-59(45-75(71(63)41-55)81(85)89-9)37-33-53(34-38-60-46-76(82(86)90-10)72-42-56(50(3)4)22-18-30-64(60)72)79-67-25-13-15-27-69(67)80(70-28-16-14-26-68(70)79)54(35-39-61-47-77(83(87)91-11)73-43-57(51(5)6)23-19-31-65(61)73)36-40-62-48-78(84(88)92-12)74-44-58(52(7)8)24-20-32-66(62)74/h13-32,41-52H,1-12H3
InChIKey AMZCXNMHDSTZQD-UHFFFAOYSA-N
Mol Weight 1205.5 g/mol
Molecular Formula C84H68O8
Exact Mass 1204.491419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GIf0Zm8H1cq
Name 9,10-BIS-[[BIS-(5-ISOPROPYL-3-METHOXYCARBONYL-1-AZULENYL)-ETHYNYL]-METHYLENE]-9,10-DIHYDRO-ANTHRACENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H68O8
InChI InChI=1S/C84H68O8/c1-49(2)55-21-17-29-63-59(45-75(71(63)41-55)81(85)89-9)37-33-53(34-38-60-46-76(82(86)90-10)72-42-56(50(3)4)22-18-30-64(60)72)79-67-25-13-15-27-69(67)80(70-28-16-14-26-68(70)79)54(35-39-61-47-77(83(87)91-11)73-43-57(51(5)6)23-19-31-65(61)73)36-40-62-48-78(84(88)92-12)74-44-58(52(7)8)24-20-32-66(62)74/h13-32,41-52H,1-12H3
InChIKey AMZCXNMHDSTZQD-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 1205.459 g/mol
Solvent CDCl3
Source File Reference UWBT20635