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1,4-BIS-[1,3-BIS-(ETHOXYCARBONYL)-6-AZULENYLETHYNYL]-BENZENE
SpectraBase Compound ID CgbThhkIZag
InChI InChI=1S/C42H34O8/c1-5-47-39(43)35-25-36(40(44)48-6-2)32-22-18-29(17-21-31(32)35)15-13-27-9-11-28(12-10-27)14-16-30-19-23-33-34(24-20-30)38(42(46)50-8-4)26-37(33)41(45)49-7-3/h9-12,17-26H,5-8H2,1-4H3
InChIKey ARJQMJBGJNHGTK-UHFFFAOYSA-N
Mol Weight 666.7 g/mol
Molecular Formula C42H34O8
Exact Mass 666.225368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7aOZjbDiiU
Name 1,4-BIS-[1,3-BIS-(ETHOXYCARBONYL)-6-AZULENYLETHYNYL]-BENZENE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H34O8
InChI InChI=1S/C42H34O8/c1-5-47-39(43)35-25-36(40(44)48-6-2)32-22-18-29(17-21-31(32)35)15-13-27-9-11-28(12-10-27)14-16-30-19-23-33-34(24-20-30)38(42(46)50-8-4)26-37(33)41(45)49-7-3/h9-12,17-26H,5-8H2,1-4H3
InChIKey ARJQMJBGJNHGTK-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 666.727 g/mol
Sample ID 40475
Solvent CDCl3