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3-BROMO-6-ETHOXYCARBONYL-7-HYDROXY-5-(3,4-DIMETHOXYPHENYL)-1,4-NAPHTHOQUINONE
SpectraBase Compound ID 5UOkvynIf1m
InChI InChI=1S/C21H17BrO7/c1-4-29-21(26)19-14(24)8-11-13(23)9-12(22)20(25)18(11)17(19)10-5-6-15(27-2)16(7-10)28-3/h5-9,24H,4H2,1-3H3
InChIKey LEULVWPOQNFGQJ-UHFFFAOYSA-N
Mol Weight 461.26 g/mol
Molecular Formula C21H17BrO7
Exact Mass 460.015766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdhBR6dpc7o
Name 3-BROMO-6-ETHOXYCARBONYL-7-HYDROXY-5-(3,4-DIMETHOXYPHENYL)-1,4-NAPHTHOQUINONE
Compound Number VII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17BrO7
InChI InChI=1S/C21H17BrO7/c1-4-29-21(26)19-14(24)8-11-13(23)9-12(22)20(25)18(11)17(19)10-5-6-15(27-2)16(7-10)28-3/h5-9,24H,4H2,1-3H3
InChIKey LEULVWPOQNFGQJ-UHFFFAOYSA-N
Literature Reference Author I.V.NECHEPURENKO,E.E.SHULTS,G.A.TOLSTIKOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1436(2003)
Literature Reference DOI 10.1023/B:RUJO.0000010560.88282.d3
Molecular Weight 461.266 g/mol
Solvent CDCl3
Source File Reference UWMZ21474