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1,2-DIACETOXY-2-[(1'E)-3'-METHOXY-3',7'-DIMETHYLOCTA-1',6'-DIENYL]-BENZENE
SpectraBase Compound ID C2R0vBqsjCE
InChI InChI=1S/C21H28O5/c1-15(2)8-7-12-21(5,24-6)13-11-18-14-19(25-16(3)22)9-10-20(18)26-17(4)23/h8-11,13-14H,7,12H2,1-6H3/b13-11+
InChIKey MBBTVIPSZFBFLZ-ACCUITESSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrdvvtLYzKi
Name 1,2-DIACETOXY-2-[(1'E)-3'-METHOXY-3',7'-DIMETHYLOCTA-1',6'-DIENYL]-BENZENE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-15(2)8-7-12-21(5,24-6)13-11-18-14-19(25-16(3)22)9-10-20(18)26-17(4)23/h8-11,13-14H,7,12H2,1-6H3/b13-11+
InChIKey MBBTVIPSZFBFLZ-ACCUITESSA-N
Literature Reference Author L.GARRIDO,E.ZUBIA,M.J.ORTEGA,J.SALVA
Literature Reference Citation J.NAT.PROD.,65,1328(2002)
Literature Reference DOI 10.1021/np020176+
Molecular Weight 360.450 g/mol
Solvent CDCl3
Source File Reference UWSI5234