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3,3-DIMETHYL-2-(4'-METHYLPHENYL)-4-(4''-CARBOMETHOXYPHENYL)-ENDO-TRICYCLO-[3.3.0.0(2,4)]-OCT-6-ENE
SpectraBase Compound ID 4Z06g6p8pr6
InChI InChI=1S/C25H26O2/c1-16-8-12-18(13-9-16)24-20-6-5-7-21(20)25(24,23(24,2)3)19-14-10-17(11-15-19)22(26)27-4/h5,7-15,20-21H,6H2,1-4H3/t20-,21+,24-,25-/m0/s1
InChIKey CMMPXDPZMWXZNY-JQOLTRQRSA-N
Mol Weight 358.48 g/mol
Molecular Formula C25H26O2
Exact Mass 358.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gEDj555MZH
Name 3,3-DIMETHYL-2-(4'-METHYLPHENYL)-4-(4''-CARBOMETHOXYPHENYL)-ENDO-TRICYCLO-[3.3.0.0(2,4)]-OCT-6-ENE
Compound Number 8J-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26O2
InChI InChI=1S/C25H26O2/c1-16-8-12-18(13-9-16)24-20-6-5-7-21(20)25(24,23(24,2)3)19-14-10-17(11-15-19)22(26)27-4/h5,7-15,20-21H,6H2,1-4H3/t20-,21+,24-,25-/m0/s1
InChIKey CMMPXDPZMWXZNY-JQOLTRQRSA-N
Literature Reference Author W.ADAM,H.M.HARRER,W.M.NAU,K.PETERS
Literature Reference Citation J.ORG.CHEM.,59,3786(1994)
Literature Reference DOI 10.1021/jo00093a010
Molecular Weight 358.480 g/mol
Solvent CDCl3
Source File Reference UWCP6938