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#14;DIACETATE-OF-9-CARBOXYALDEHYDE-5'-(5''-CARBOXYALDEHYDE-2''-HYDROXY-3''-METHOXYPHENYL)-6-HYDROXYMETHYL-3',4,11-TRIMETHOXYDIBENZO-[D,F]-[1,3]-DIOXEPIN-2-
SpectraBase Compound ID 7y6s5N9MaAN
InChI InChI=1S/C35H30O13/c1-18(38)45-17-22-9-24-23-7-20(15-36)11-28(42-4)33(23)47-35(48-34(24)29(12-22)43-5)13-26(31(40)30(14-35)44-6)25-8-21(16-37)10-27(41-3)32(25)46-19(2)39/h7-16H,17H2,1-6H3
InChIKey XNWKDBVJRINTEL-UHFFFAOYSA-N
Mol Weight 658.6 g/mol
Molecular Formula C35H30O13
Exact Mass 658.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EO1WDzbVagA
Name #14;DIACETATE-OF-9-CARBOXYALDEHYDE-5'-(5''-CARBOXYALDEHYDE-2''-HYDROXY-3''-METHOXYPHENYL)-6-HYDROXYMETHYL-3',4,11-TRIMETHOXYDIBENZO-[D,F]-[1,3]-DIOXEPIN-2-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H30O13
InChI InChI=1S/C35H30O13/c1-18(38)45-17-22-9-24-23-7-20(15-36)11-28(42-4)33(23)47-35(48-34(24)29(12-22)43-5)13-26(31(40)30(14-35)44-6)25-8-21(16-37)10-27(41-3)32(25)46-19(2)39/h7-16H,17H2,1-6H3
InChIKey XNWKDBVJRINTEL-UHFFFAOYSA-N
Literature Reference Author M.LAHTINEN,K.KRUUS,P.HEINONEN,J.SIPILA
Literature Reference Citation J.AGR.FOOD.CHEM.,57,8357(2009)
Literature Reference DOI 10.1021/jf901511k
Molecular Weight 658.615 g/mol
Sample ID 68150
Solvent CDCl3