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13,29-DIACETYL-[2.2.2.2]-PARACYCLOPHANE

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13,29-DIACETYL-[2.2.2.2]-PARACYCLOPHANE
SpectraBase Compound ID 40eUchUx1EF
InChI InChI=1S/C36H28O4/c1-39-35(37)33-23-29-13-11-25-5-9-28(10-6-25)16-20-32-22-18-30(24-34(32)36(38)40-2)14-12-26-3-7-27(8-4-26)15-19-31(33)21-17-29/h3-24H,1-2H3/b13-11-,14-12-,19-15-,20-16-,25-11-,26-12-,27-15-,28-16-,29-13+,30-14+,31-19+,32-20+
InChIKey LKCSUOGTLHRSRV-PAOZCUSJSA-N
Mol Weight 524.6 g/mol
Molecular Formula C36H28O4
Exact Mass 524.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CY0MKWvD66W
Name 13,29-DIACETYL-[2.2.2.2]-PARACYCLOPHANE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28O4
InChI InChI=1S/C36H28O4/c1-39-35(37)33-23-29-13-11-25-5-9-28(10-6-25)16-20-32-22-18-30(24-34(32)36(38)40-2)14-12-26-3-7-27(8-4-26)15-19-31(33)21-17-29/h3-24H,1-2H3/b13-11-,14-12-,19-15-,20-16-,25-11-,26-12-,27-15-,28-16-,29-13+,30-14+,31-19+,32-20+
InChIKey LKCSUOGTLHRSRV-PAOZCUSJSA-N
Literature Reference Author E.SHABTAI,D.FRENKIEL,S.COHEN,M.RABINOVITZ,J.KLEIN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,2411(1997)
Literature Reference DOI 10.1039/a701906h
Molecular Weight 524.616 g/mol
Solvent CDCl3
Source File Reference UWRU6327