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(1,3-DIETHOXYCARBONYL-6-AZULENYL)-PENTAPHENYLBENZENE
SpectraBase Compound ID C0yLCZpiQTs
InChI InChI=1S/C52H40O4/c1-3-55-51(53)43-34-44(52(54)56-4-2)42-33-31-40(30-32-41(42)43)50-48(38-26-16-8-17-27-38)46(36-22-12-6-13-23-36)45(35-20-10-5-11-21-35)47(37-24-14-7-15-25-37)49(50)39-28-18-9-19-29-39/h5-34H,3-4H2,1-2H3
InChIKey BOHYKSJWTDYFPO-UHFFFAOYSA-N
Mol Weight 728.9 g/mol
Molecular Formula C52H40O4
Exact Mass 728.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68RwAQ9caqC
Name (1,3-DIETHOXYCARBONYL-6-AZULENYL)-PENTAPHENYLBENZENE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H40O4
InChI InChI=1S/C52H40O4/c1-3-55-51(53)43-34-44(52(54)56-4-2)42-33-31-40(30-32-41(42)43)50-48(38-26-16-8-17-27-38)46(36-22-12-6-13-23-36)45(35-20-10-5-11-21-35)47(37-24-14-7-15-25-37)49(50)39-28-18-9-19-29-39/h5-34H,3-4H2,1-2H3
InChIKey BOHYKSJWTDYFPO-UHFFFAOYSA-N
Literature Reference Author S.ITO,H.INABE,T.OKUJIMA,N.MORITA,M.WATANABE,N.HARADA,K.IMAFU KU
Literature Reference Citation J.ORG.CHEM.,66,7090(2001)
Literature Reference DOI 10.1021/jo010540u
Molecular Weight 728.887 g/mol
Solvent CDCl3
Source File Reference UWVN26557