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3-(2''-CHLOROPROP-2''-ENYL-OXY)-2-[(4'R,5'R)-4',5'-DIMETHYL-1',3'-DIOXOLAN-2'-YL]-4-HYDROXY-ANTHRAQUINONE
SpectraBase Compound ID KKdl0c5CDLF
InChI InChI=1S/C22H19ClO5/c1-10(23)8-15-16(22-27-11(2)12(3)28-22)9-17-18(21(15)26)20(25)14-7-5-4-6-13(14)19(17)24/h4-7,9,11-12,22,26H,1,8H2,2-3H3/t11-,12-/m0/s1
InChIKey NFDBACNDYQPOMQ-RYUDHWBXSA-N
Mol Weight 398.84 g/mol
Molecular Formula C22H19ClO5
Exact Mass 398.092101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1C9fkd1RzSv
Name 3-(2''-CHLOROPROP-2''-ENYL-OXY)-2-[(4'R,5'R)-4',5'-DIMETHYL-1',3'-DIOXOLAN-2'-YL]-4-HYDROXY-ANTHRAQUINONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19ClO5
InChI InChI=1S/C22H19ClO5/c1-10(23)8-15-16(22-27-11(2)12(3)28-22)9-17-18(21(15)26)20(25)14-7-5-4-6-13(14)19(17)24/h4-7,9,11-12,22,26H,1,8H2,2-3H3/t11-,12-/m0/s1
InChIKey NFDBACNDYQPOMQ-RYUDHWBXSA-N
Literature Reference Author R.C.CAMBIE,S.E.HOLROYD,D.S.LARSEN,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,45,1589(1992)
Literature Reference DOI 10.1071/ch9921589
Molecular Weight 398.843 g/mol
Solvent CDCl3
Source File Reference UWTS2137