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Ellagic acid
SpectraBase Compound ID HbJ9lXZ0pNN
InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
InChIKey AFSDNFLWKVMVRB-UHFFFAOYSA-N
Mol Weight 302.19 g/mol
Molecular Formula C14H6O8
Exact Mass 302.006267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76Ed7y6S1wk
Name ELLAGIC-ACID;2,3,7,8-TETRAHYDROXY-[1]-BENZOPYRANO-[5,4,3-CDE]-[1]-BENZOPYRAN-5,10-DIONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H6O8
InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
InChIKey AFSDNFLWKVMVRB-UHFFFAOYSA-N
Literature Reference Author Y.ZHANG,D.L.DEWITT,S.MURUGESAN,M.G.NAIR
Literature Reference Citation CHEM.BIODIV.,1,426(2004)
Literature Reference DOI 10.1002/cbdv.200490036
Molecular Weight 302.197 g/mol
Solvent DMSO-D6
Source File Reference UWLU21637