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Back ChemicalBook Home>CAS DataBase List>349-03-1More Spectrum> 4-Bromo-3-nitrobenzotrifluoride(349-03-1)IR

349-03-1

4-Bromo-3-nitrobenzotrifluoride(349-03-1)IR

Molecular FormulaC7H3BrF3NO2

Molecular Weight270

InChIInChI=1S/C7H3BrF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

InChIKey PESPBNYBZVIGRO-UHFFFAOYSA-N

SmilesC1(Br)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O

parameter in acetone

  • 4-Bromo-3-nitrobenzotrifluoride(349-03-1)IR

    1H NMR 300 MHz
    C7 H3 Br F3 N O2 10 mol% in acetone
    4-bromo-3-nitrobenzylidyne trifluoride
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         8.293
      D(B)         7.929
      D(C)         8.129
      D(X)       -62.88
       J(A,B)          2.13
       J(A,C)          0.43
       J(A,X)         -0.58
       J(B,C)          8.45
       J(B,X)         -0.68
       J(C,X)          0.83
     
     COX,R.H. J.MOL.SPECTROSC. 33, 172 (1970)
     F-19 REFERENCE : CFCL3
  

         Hz     ppm     Int.


       2488.96   8.297    976
   2486.87   8.290   1000
   2443.12   8.144    621
   2434.64   8.115    815
   2383.99   7.947    523
   2383.36   7.945    556
   2382.63   7.942    459
   2381.90   7.940    551
   2381.27   7.938    516
   2375.52   7.918    404
   2374.91   7.916    426
   2374.18   7.914    344
   2373.43   7.911    412
   2372.82   7.909    390

  • 4-Bromo-3-nitrobenzotrifluoride(349-03-1)IR

  • 4-Bromo-3-nitrobenzotrifluoride(349-03-1)IR

4-Bromo-3-nitrobenzotrifluoride(349-03-1)IR Atlas of Related Products

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