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1-ACETYL-5-HYDROXY-2-[(2-METHYL-1,3-DIOXOLAN-2-YL)-METHYL]-ANTHRAQUINONE
SpectraBase Compound ID CeFFxz5zPXt
InChI InChI=1S/C21H18O6/c1-11(22)16-12(10-21(2)26-8-9-27-21)6-7-14-18(16)20(25)13-4-3-5-15(23)17(13)19(14)24/h3-7,23H,8-10H2,1-2H3
InChIKey KRRVXIFLSSVTIU-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C21H18O6
Exact Mass 366.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JimETGHWsJA
Name 1-ACETYL-5-HYDROXY-2-[(2-METHYL-1,3-DIOXOLAN-2-YL)-METHYL]-ANTHRAQUINONE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O6
InChI InChI=1S/C21H18O6/c1-11(22)16-12(10-21(2)26-8-9-27-21)6-7-14-18(16)20(25)13-4-3-5-15(23)17(13)19(14)24/h3-7,23H,8-10H2,1-2H3
InChIKey KRRVXIFLSSVTIU-UHFFFAOYSA-N
Literature Reference Author K.KROHN,N.BOEKER,U.FLOERKE,C.FREUND
Literature Reference Citation J.ORG.CHEM.,62,2350(1997)
Literature Reference DOI 10.1021/jo9622587
Molecular Weight 366.370 g/mol
Solvent CDCl3
Source File Reference UWMZ4292