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Molecular FormulaC13H6Br3O3-

Molecular Weight449.89694

InChIInChI=1S/C13H7Br3O3/c14-7-1-3-9(4-2-7)19-12-10(13(17)18)5-8(15)6-11(12)16/h1-6H,(H,17,18)/p-1

InChIKey HILWETQZHCJKMQ-UHFFFAOYSA-M

SmilesC([O-])(=O)C1=CC(Br)=CC(Br)=C1OC1=CC=C(Br)C=C1



  •     Assign.     Shift(ppm)
    A 8.158 B 8.127 C 7.684 D 7.350
    Spectral Code: 1H NMR : 400 MHz in DMSO-d6



  •        ppm   Int.  Assign.
    165.11 196 1 155.83 283 2 149.21 251 3 140.46 346 4 132.41 1000 5 132.06 362 6 124.02 960 7 118.77 220 8 116.29 204 9 112.79 259 10 110.57 251 11
    Spectral Code: 13C NMR : DMSO-d6


  • Spectral Code: IR : nujol mull


  • Spectral Code: Raman : 4880 A,200 M,powder

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