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4,4'-DI-O-ACETYL-[9,9'-13C]-(E,E)-5-5'-DEHYDRODIFERULIC-ACID-DIETHYLESTER-{}
SpectraBase Compound ID D3ae2ayQYhc
InChI InChI=1S/C28H30O10/c1-7-35-25(31)11-9-19-13-21(27(37-17(3)29)23(15-19)33-5)22-14-20(10-12-26(32)36-8-2)16-24(34-6)28(22)38-18(4)30/h9-16H,7-8H2,1-6H3/b11-9+,12-10+
InChIKey JOAYSKPIWDBTIT-WGDLNXRISA-N
Mol Weight 526.54 g/mol
Molecular Formula C28H30O10
Exact Mass 526.183897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BBsdgDStQc
Name 4,4'-DI-O-ACETYL-[9,9'-13C]-(E,E)-5-5'-DEHYDRODIFERULIC-ACID-DIETHYLESTER-{}
Compound Number 1C-AC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30O10
InChI InChI=1S/C28H30O10/c1-7-35-25(31)11-9-19-13-21(27(37-17(3)29)23(15-19)33-5)22-14-20(10-12-26(32)36-8-2)16-24(34-6)28(22)38-18(4)30/h9-16H,7-8H2,1-6H3/b11-9+,12-10+
InChIKey JOAYSKPIWDBTIT-WGDLNXRISA-N
Literature Reference Author S.QUIDEAU,J.RALPH
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2351(1997)
Literature Reference DOI 10.1039/a701808h
Molecular Weight 526.540 g/mol
Solvent Unknown
Source File Reference UWKP2630