1-Bromo-4-(trifluoromethoxy)benzene(407-14-7) ¹³C NMR

Product Name1-Bromo-4-(trifluoromethoxy)benzene

CAS 407-14-7

Molecular FormulaC7H4BrF3O

Molecular Weight241.01

InChIInChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

InChIKey SEAOBYFQWJFORM-UHFFFAOYSA-N

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

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1-Bromo-4-(trifluoromethoxy)benzene(407-14-7) <sup>13</sup>C NMR
Mass

MS-IW-8372          
1-bromo-4-(trifluoromethoxy)benzene
C7H4BrF3O           (Mass of molecular ion:    240)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      37.0       2.0
      38.0       6.3
      39.0       1.2
      50.0       5.1
      61.0       2.1
      62.0       3.9
      63.0      12.7
      64.0      10.0
      69.0      11.8
      73.0       1.1
      74.0       3.6
      75.0       7.4
      76.0       2.7
      92.0       6.5
      94.0       1.5
      95.0      14.1
     117.0       2.0
     119.0       1.9
     143.0      22.8
     144.0       1.5
     145.0      22.3
     146.0       1.2
     155.0       6.5
     157.0       6.5
     161.0       1.5
     171.0      32.6
     172.0       2.6
     173.0      32.5
     174.0       3.1
     240.0     100.0
     241.0       7.8
     242.0      97.6
     243.0       7.5

400 MHz in CDCl3

1-Bromo-4-(trifluoromethoxy)benzene(407-14-7) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₇ H₄ Br F₃ O	0.05 ml : 0.5 ml CDCl₃
1-bromo-4-(trifluoromethoxy)benzene

    Assign.     Shift(ppm)

      A             7.494
      B             7.084

     Hz     ppm     Int.

   3003.05   7.515     88
   2999.88   7.507    828
   2997.68   7.501    287
   2995.36   7.495     31
   2993.04   7.490    287
   2990.84   7.484   1000
   2987.67   7.476    116
   2839.23   7.105     49
   2838.26   7.102     61
   2836.91   7.099    156
   2836.06   7.097    361
   2835.08   7.094    421
   2834.11   7.092    257
   2832.89   7.089    143
   2830.08   7.082     63
   2829.22   7.080    124
   2828.00   7.077    214
   2827.03   7.074    375
   2826.05   7.072    376
   2825.07   7.069    174
   2823.85   7.066     57
   2822.88   7.064     46

in CDCl3