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4-(2'-HYDROXY-5'-METHOXY-3',6'-DIOXOCYClOHEXA-1',4'-DIENYL)-BUTANOIC-ACID
SpectraBase Compound ID 5aXyT7SZWVo
InChI InChI=1S/C12H14O6/c1-18-9-6-8(13)11(16)7(12(9)17)4-2-3-5-10(14)15/h6,16H,2-5H2,1H3,(H,14,15)
InChIKey OTIQSQLGAVAYPS-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C12H14O6
Exact Mass 254.079038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fdP9KkNdcL
Name 4-(2'-HYDROXY-5'-METHOXY-3',6'-DIOXOCYClOHEXA-1',4'-DIENYL)-BUTANOIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O6
InChI InChI=1S/C12H14O6/c1-18-9-6-8(13)11(16)7(12(9)17)4-2-3-5-10(14)15/h6,16H,2-5H2,1H3,(H,14,15)
InChIKey OTIQSQLGAVAYPS-UHFFFAOYSA-N
Literature Reference Author E.A.ABOURASHED,F.S.EL-FERALY,C.D.HUFFORD
Literature Reference Citation J.NAT.PROD.,62,714(1999)
Literature Reference DOI 10.1021/np9804942
Molecular Weight 254.240 g/mol
Solvent D2O
Source File Reference UWCP7789