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acetic acid [(E,2Z)-2-(2-ketoethylidene)-6-methyl-8-(2,6,6-trimethyl-1-cyclohex-2-enyl)oct-5-enyl] ester
SpectraBase Compound ID 8yyPQVALUAB
InChI InChI=1S/C22H34O3/c1-17(8-6-10-20(13-15-23)16-25-19(3)24)11-12-21-18(2)9-7-14-22(21,4)5/h8-9,13,15,21H,6-7,10-12,14,16H2,1-5H3/b17-8+,20-13-
InChIKey DHEMTVFPXGCUAL-NASAAYCPSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICSEjDz6Hg2
Name acetic acid [(E,2Z)-2-(2-ketoethylidene)-6-methyl-8-(2,6,6-trimethyl-1-cyclohex-2-enyl)oct-5-enyl] ester
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-17(8-6-10-20(13-15-23)16-25-19(3)24)11-12-21-18(2)9-7-14-22(21,4)5/h8-9,13,15,21H,6-7,10-12,14,16H2,1-5H3/b17-8+,20-13-
InChIKey DHEMTVFPXGCUAL-NASAAYCPSA-N
Literature Reference Author J.T.HANDLEY,A.J.BLACKMAN
Literature Reference Citation AUSTR.J.CHEM.,58,39(2005)
Literature Reference DOI 10.1071/CH04174
Molecular Weight 346.510 g/mol
Sample ID 28902
Solvent CDCl3