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(E,Z)-6-(2'-ACETOXYETHENYL)-2,2,5,7-TETRAMETHYLINDAN-1-ONE
SpectraBase Compound ID I7YaF6x8LWc
InChI InChI=1S/2C17H20O3/c2*1-10-8-13-9-17(4,5)16(19)15(13)11(2)14(10)6-7-20-12(3)18/h2*6-8H,9H2,1-5H3/b7-6+;7-6-
InChIKey CULGZIPHXMFEGA-WNGLLYAYSA-N
Mol Weight 544.69 g/mol
Molecular Formula C34H40O6
Exact Mass 544.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dVtCw6WmqR
Name (E,Z)-6-(2'-ACETOXYETHENYL)-2,2,5,7-TETRAMETHYLINDAN-1-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H40O6
InChI InChI=1S/2C17H20O3/c2*1-10-8-13-9-17(4,5)16(19)15(13)11(2)14(10)6-7-20-12(3)18/h2*6-8H,9H2,1-5H3/b7-6+;7-6-
InChIKey CULGZIPHXMFEGA-WNGLLYAYSA-N
Literature Reference Author R.FARRELL,F.KELLEHER,H.SHERIDAN
Literature Reference Citation J.NAT.PROD.,59,446(1996)
Literature Reference DOI 10.1021/np9601115
Molecular Weight 544.688 g/mol
Solvent CDCl3
Source File Reference UWVP2466