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2-(3',5'-DIBROMO-2'-HYDROXYPHENOXY)-3,4,6-TRIBROMOPHENOL
SpectraBase Compound ID 92gxgCkC8Js
InChI InChI=1S/C12H5Br5O3/c13-4-1-6(15)10(18)8(2-4)20-12-9(17)5(14)3-7(16)11(12)19/h1-3,18-19H
InChIKey QJOJMIGBIPHDPW-UHFFFAOYSA-N
Mol Weight 596.69 g/mol
Molecular Formula C12H5Br5O3
Exact Mass 591.615559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4U6K4ZhGPOd
Name 2-(3',5'-DIBROMO-2'-HYDROXYPHENOXY)-3,4,6-TRIBROMOPHENOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H5Br5O3
InChI InChI=1S/C12H5Br5O3/c13-4-1-6(15)10(18)8(2-4)20-12-9(17)5(14)3-7(16)11(12)19/h1-3,18-19H
InChIKey QJOJMIGBIPHDPW-UHFFFAOYSA-N
Literature Reference Author L.CALCUL,R.CHOW,A.G.OLIVER,K.TENNEY,K.N.WHITE,A.W.WOOD,C.FIO RILLA,P.CREWS
Literature Reference Citation J.NAT.PROD.,72,443(2009)
Literature Reference DOI 10.1021/np800737z
Molecular Weight 596.690 g/mol
Sample ID 32271
Solvent CDCl3+1%_TFA