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4,15-BIS-[(1E,3E,5E,7E)-8-(ETHOXYCARBONYL)-OCTA-1,3,4,5-TETRAENYL]-[2.2]-PARACYCLOPHANE
SpectraBase Compound ID IM77EjcWpEX
InChI InChI=1S/C38H40O4/c1-3-41-37(39)19-15-11-7-5-9-13-17-35-29-31-21-22-32-24-26-34(28-27-33(35)25-23-31)36(30-32)18-14-10-6-8-12-16-20-38(40)42-4-2/h5-20,23-26,29-30H,3-4,21-22,27-28H2,1-2H3/b9-5+,10-6+,11-7+,12-8+,17-13+,18-14+,19-15+,20-16+
InChIKey OCURJSCCZSAPMW-LMHGLJKWSA-N
Mol Weight 560.7 g/mol
Molecular Formula C38H40O4
Exact Mass 560.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 616liN1E5hM
Name 4,15-BIS-[(1E,3E,5E,7E)-8-(ETHOXYCARBONYL)-OCTA-1,3,4,5-TETRAENYL]-[2.2]-PARACYCLOPHANE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40O4
InChI InChI=1S/C38H40O4/c1-3-41-37(39)19-15-11-7-5-9-13-17-35-29-31-21-22-32-24-26-34(28-27-33(35)25-23-31)36(30-32)18-14-10-6-8-12-16-20-38(40)42-4-2/h5-20,23-26,29-30H,3-4,21-22,27-28H2,1-2H3/b9-5+,10-6+,11-7+,12-8+,17-13+,18-14+,19-15+,20-16+
InChIKey OCURJSCCZSAPMW-LMHGLJKWSA-N
Literature Reference Author H.HOPF,H.GREIVING,C.BECK,I.DIX,P.G.JONES,J.P.DESVERGNE,H.BOU AS-LAURENT
Literature Reference Citation EUR.J.ORG.CHEM.,567(2005)
Molecular Weight 560.733 g/mol
Sample ID 38944
Solvent CDCl3