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2,2,9,9,14,14,21,21-Octamethyltricyclo[20.2.2.2(10,13)]octacosa-10,12,22,24,25,27-hexaene
SpectraBase Compound ID 5CJCQ4kOjaV
InChI InChI=1S/C36H56/c1-33(2)25-13-9-10-14-26-35(5,6)31-21-23-32(24-22-31)36(7,8)28-16-12-11-15-27-34(3,4)30-19-17-29(33)18-20-30/h17-24H,9-16,25-28H2,1-8H3
InChIKey KHCISCGIORCFBT-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C36H56
Exact Mass 488.438202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKcSQw4lSzF
Name 2,2,9,9,14,14,21,21-OCTAMETHYLTRICYCLO-[20.2.2.2(10,13)]-OCTACOSA-10,12,22,24,25,27-HEXAENE
Compound Number 45
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56
InChI InChI=1S/C36H56/c1-33(2)25-13-9-10-14-26-35(5,6)31-21-23-32(24-22-31)36(7,8)28-16-12-11-15-27-34(3,4)30-19-17-29(33)18-20-30/h17-24H,9-16,25-28H2,1-8H3
InChIKey KHCISCGIORCFBT-UHFFFAOYSA-N
Literature Reference Author M.MASCAL,J.L.KERDELHUE,A.S.BATSANOV,M.J.BEGLEY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1141(1996)
Literature Reference DOI 10.1039/p19960001141
Molecular Weight 488.841 g/mol
Solvent CDCl3
Source File Reference UWCS20765