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ETHYL-[1,4-CH3-(13)C]-4,5-DIMETHYL-7-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6-HEPTATRIENOATE
SpectraBase Compound ID BQW3CDU6QTg
InChI InChI=1S/C20H30O2/c1-7-22-19(21)13-11-16(3)15(2)10-12-18-17(4)9-8-14-20(18,5)6/h10-13H,7-9,14H2,1-6H3/b12-10+,13-11+,16-15+/i3+1,19+1
InChIKey GORHJEPBVOYHJH-YNZUKRMLSA-N
Mol Weight 304.44 g/mol
Molecular Formula C1813C2H30O2
Exact Mass 304.23129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Flm7TIYmCza
Name ETHYL-[1,4-CH3-(13)C]-4,5-DIMETHYL-7-(2',6',6'-TRIMETHYL-1'-CYCLOHEXEN-1'-YL)-2,4,6-HEPTATRIENOATE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C1813C2H30O2
InChI InChI=1S/C20H30O2/c1-7-22-19(21)13-11-16(3)15(2)10-12-18-17(4)9-8-14-20(18,5)6/h10-13H,7-9,14H2,1-6H3/b12-10+,13-11+,16-15+/i3+1,19+1
InChIKey GORHJEPBVOYHJH-YNZUKRMLSA-N
Literature Reference Author P.J.E.VERDEGEM,M.C.F.MONNEE,J.LUGTENBURG
Literature Reference Citation J.ORG.CHEM.,66,1269(2001)
Literature Reference DOI 10.1021/jo0009595
Molecular Weight 304.442 g/mol
Solvent CDCl3
Source File Reference UWLU26128