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Back ChemicalBook Home>CAS DataBase List>50824-05-0More Spectrum> 4-(Trifluoromethoxy)benzyl bromide(50824-05-0) 1H NMR

50824-05-0

4-(Trifluoromethoxy)benzyl bromide(50824-05-0) 1H NMR

Molecular FormulaC8H6BrF3O

Molecular Weight255.03

InChIInChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2

InChIKey JDNPUJCKXLOHOW-UHFFFAOYSA-N

SmilesC1(CBr)=CC=C(OC(F)(F)F)C=C1

  • 4-(Trifluoromethoxy)benzyl bromide(50824-05-0) <sup>1</sup>H NMR
    Mass

    MS-KW-0547          
    alpha-bromo-4-(trifluoromethoxy)benzene
    C8H6BrF3O           (Mass of molecular ion:    254)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          39.0       1.6
          50.0       2.6
          51.0       5.0
          52.0       3.3
          63.0       1.6
          69.0      10.1
          77.0       3.2
          78.0       7.7
          83.0       2.9
          89.0       1.3
          90.0       1.1
         106.0       1.1
         109.0       8.8
         169.0       1.9
         171.0       1.8
         175.0     100.0
         176.0       9.0
         254.0       1.1
         256.0       1.1
    

400 MHz in CDCl3

  • 4-(Trifluoromethoxy)benzyl bromide(50824-05-0) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C8H6BrF3O 0.05 ml : 0.5 ml CDCl3
    4-(trifluoromethoxy)benzyl bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.399 B 7.170 C 4.453

         Hz     ppm     Int.
    

       2965.21   7.418     68
       2962.41   7.411    441
       2960.21   7.405    157
       2955.82   7.394    175
       2953.74   7.389    491
       2950.81   7.382     70
       2870.49   7.181    287
       2869.63   7.178    306
       2861.70   7.159    254
       2860.97   7.157    232
       1780.03   4.453   1000
    

in CDCl3

  • 4-(Trifluoromethoxy)benzyl bromide(50824-05-0) <sup>1</sup>H NMR

Liquid film

  • 4-(Trifluoromethoxy)benzyl bromide(50824-05-0) <sup>1</sup>H NMR

  • 4-(Trifluoromethoxy)benzyl bromide(50824-05-0) <sup>1</sup>H NMR

4-(Trifluoromethoxy)benzyl bromide(50824-05-0) 1H NMR Atlas of Related Products

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