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acetic acid (4-acetoxy-2-isopropyl-3,6-diketo-5-methyl-1-cyclohexa-1,4-dienyl) ester
SpectraBase Compound ID 66mZhw1nxHT
InChI InChI=1S/C14H16O6/c1-6(2)10-12(18)13(19-8(4)15)7(3)11(17)14(10)20-9(5)16/h6H,1-5H3
InChIKey AZZYCFIGCATJQY-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C14H16O6
Exact Mass 280.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cFJW0eqQjc
Name acetic acid (4-acetoxy-2-isopropyl-3,6-diketo-5-methyl-1-cyclohexa-1,4-dienyl) ester
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O6
InChI InChI=1S/C14H16O6/c1-6(2)10-12(18)13(19-8(4)15)7(3)11(17)14(10)20-9(5)16/h6H,1-5H3
InChIKey AZZYCFIGCATJQY-UHFFFAOYSA-N
Literature Reference Author E.BURGUENO-TAPIA,P.JOSEPH-NATHAN
Literature Reference Citation MAGN.RES.CHEM.,38,390(2000)
Literature Reference DOI 10.1002/1097-458x(200005)38:5<390::aid-mrc645>3.3.co;2-0
Molecular Weight 280.277 g/mol
Solvent DMSO-D6
Source File Reference UWBS1509