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2-(3',5'-DIBROMO-2'-HYDROXYPHENOXY)-3,5,6-TRIBROMOANISOL
SpectraBase Compound ID 3OJefaYo4bT
InChI InChI=1S/C13H7Br5O3/c1-20-13-10(18)6(15)4-8(17)12(13)21-9-3-5(14)2-7(16)11(9)19/h2-4,19H,1H3
InChIKey DXFJHCHPUKLLGC-UHFFFAOYSA-N
Mol Weight 610.72 g/mol
Molecular Formula C13H7Br5O3
Exact Mass 605.631209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2rXhTPUTPI
Name 2-(3',5'-DIBROMO-2'-HYDROXYPHENOXY)-3,5,6-TRIBROMOANISOL
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H7Br5O3
InChI InChI=1S/C13H7Br5O3/c1-20-13-10(18)6(15)4-8(17)12(13)21-9-3-5(14)2-7(16)11(9)19/h2-4,19H,1H3
InChIKey DXFJHCHPUKLLGC-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 610.717 g/mol
Sample ID 32280
Solvent CDCl3