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

Product Name4-(Trifluoromethoxy)benzyl bromide

CAS 50824-05-0

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

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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

¹H NMR	399.65 MHz
C₈H₆BrF₃O	0.05 ml : 0.5 ml CDCl₃
4-(trifluoromethoxy)benzyl bromide

    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