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3-BROMO-5,8-DIHYDROXY-2,7-DIMETHOXY-1,4-NAPHTHOQUINONE
SpectraBase Compound ID JSHqG146eCM
InChI InChI=1S/C12H9BrO6/c1-18-5-3-4(14)6-7(9(5)15)11(17)12(19-2)8(13)10(6)16/h3,14-15H,1-2H3
InChIKey GUTIIFLDLABTLJ-UHFFFAOYSA-N
Mol Weight 329.1 g/mol
Molecular Formula C12H9BrO6
Exact Mass 327.958251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUwSgpSS5xZ
Name 3-BROMO-5,8-DIHYDROXY-2,7-DIMETHOXY-1,4-NAPHTHOQUINONE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9BrO6
InChI InChI=1S/C12H9BrO6/c1-18-5-3-4(14)6-7(9(5)15)11(17)12(19-2)8(13)10(6)16/h3,14-15H,1-2H3
InChIKey GUTIIFLDLABTLJ-UHFFFAOYSA-N
Literature Reference Author N.D.POKHILO,M.I.SHUVALOVA,M.V.LEBEDKO,G.I.SOPELNYAK,A.Y.YAKU BOVSKAYA,N.P.MISCHEN
Literature Reference Citation J.NAT.PROD.,69,1125(2006)
Literature Reference DOI 10.1021/np0502185
Molecular Weight 329.104 g/mol
Solvent CDCl3
Source File Reference UWMZ15675