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3,5-DIMETHOXY-1-(2-METHOXY-2-OXOETHYL)-CYCLOHEXA-2,5-DIENECARBOXYLIC_ACID
SpectraBase Compound ID YnnQDtWVjz
InChI InChI=1S/C12H16O6/c1-16-8-4-9(17-2)6-12(5-8,11(14)15)7-10(13)18-3/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKey XNCCJGSOUWPJGR-UHFFFAOYSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZlQZ5jBRfc
Name 3,5-DIMETHOXY-1-(2-METHOXY-2-OXOETHYL)-CYCLOHEXA-2,5-DIENECARBOXYLIC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-16-8-4-9(17-2)6-12(5-8,11(14)15)7-10(13)18-3/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKey XNCCJGSOUWPJGR-UHFFFAOYSA-N
Literature Reference Author A.M.BEEKMAN,R.A.BARROW
Literature Reference Citation J.NAT.PROD.,76,2054(2013)
Literature Reference DOI 10.1021/np400473u
Molecular Weight 256.255 g/mol
Solvent CDCl3
Source File Reference UWMZ43398