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2-BROMO-6-ETHOXYCARBONYL-7-HYDROXY-5-(2,4-DIMETHOXYPHENYL)-1,4-NAPHTHOQUINONE
SpectraBase Compound ID 3Wyy9q60kkZ
InChI InChI=1S/C21H17BrO7/c1-4-29-21(26)19-14(23)8-12-17(15(24)9-13(22)20(12)25)18(19)11-6-5-10(27-2)7-16(11)28-3/h5-9,23H,4H2,1-3H3
InChIKey GOMUKJNJTGBLPU-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 IaQXssEVcsJ
Name 2-BROMO-6-ETHOXYCARBONYL-7-HYDROXY-5-(2,4-DIMETHOXYPHENYL)-1,4-NAPHTHOQUINONE
Compound Number X
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(23)8-12-17(15(24)9-13(22)20(12)25)18(19)11-6-5-10(27-2)7-16(11)28-3/h5-9,23H,4H2,1-3H3
InChIKey GOMUKJNJTGBLPU-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 UWMZ21477