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DIMETHYL-3-[2'-METHYL-1'-(4''-METHOXYCARBONYLPHENYL)-PROP-1'-ENYL]-CYCLOHEX-4-ENE-1,2-DICARBOXYLATE
SpectraBase Compound ID 2SmWGgTxTbK
InChI InChI=1S/C22H26O6/c1-13(2)18(14-9-11-15(12-10-14)20(23)26-3)16-7-6-8-17(21(24)27-4)19(16)22(25)28-5/h6-7,9-12,16-17,19H,8H2,1-5H3/t16?,17-,19-/m1/s1
InChIKey GQRDPNLUXTWZRI-DOGRWBMSSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaZhdUEu7f8
Name DIMETHYL-3-[2'-METHYL-1'-(4''-METHOXYCARBONYLPHENYL)-PROP-1'-ENYL]-CYCLOHEX-4-ENE-1,2-DICARBOXYLATE
Compound Number 8D-4-MEO2C-C6H4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-13(2)18(14-9-11-15(12-10-14)20(23)26-3)16-7-6-8-17(21(24)27-4)19(16)22(25)28-5/h6-7,9-12,16-17,19H,8H2,1-5H3/t16?,17-,19-/m1/s1
InChIKey GQRDPNLUXTWZRI-DOGRWBMSSA-N
Literature Reference Author M.KNOKE,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,2259(2005)
Molecular Weight 386.445 g/mol
Sample ID 39288
Solvent CDCl3