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1,4-BIS-[1,3-BIS-(HEXYLOXYCARBONYL)-6-AZULENYLETHYNYL]-BENZENE

View entire compound with spectra: 1 NMR

1,4-BIS-[1,3-BIS-(HEXYLOXYCARBONYL)-6-AZULENYLETHYNYL]-BENZENE
SpectraBase Compound ID FwFbMDFqxBo
InChI InChI=1S/C58H66O8/c1-5-9-13-17-37-63-55(59)51-41-52(56(60)64-38-18-14-10-6-2)48-34-30-45(29-33-47(48)51)27-25-43-21-23-44(24-22-43)26-28-46-31-35-49-50(36-32-46)54(58(62)66-40-20-16-12-8-4)42-53(49)57(61)65-39-19-15-11-7-3/h21-24,29-36,41-42H,5-20,37-40H2,1-4H3
InChIKey VANFLIQOMCFHGV-UHFFFAOYSA-N
Mol Weight 891.2 g/mol
Molecular Formula C58H66O8
Exact Mass 890.475769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQ7b7fGWdyw
Name 1,4-BIS-[1,3-BIS-(HEXYLOXYCARBONYL)-6-AZULENYLETHYNYL]-BENZENE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H66O8
InChI InChI=1S/C58H66O8/c1-5-9-13-17-37-63-55(59)51-41-52(56(60)64-38-18-14-10-6-2)48-34-30-45(29-33-47(48)51)27-25-43-21-23-44(24-22-43)26-28-46-31-35-49-50(36-32-46)54(58(62)66-40-20-16-12-8-4)42-53(49)57(61)65-39-19-15-11-7-3/h21-24,29-36,41-42H,5-20,37-40H2,1-4H3
InChIKey VANFLIQOMCFHGV-UHFFFAOYSA-N
Literature Reference Author S.ITO,H.INABE,N.MORITA,K.OHTA,T.KITAMURA,K.IMAFUKU
Literature Reference Citation J.AM.CHEM.SOC.,125,1669(2003)
Literature Reference DOI 10.1021/ja0209262
Molecular Weight 891.157 g/mol
Sample ID 40472
Solvent CDCl3