4-溴-3-氟甲苯(452-74-4)質(zhì)譜(MS)

產(chǎn)品名稱:4-溴-3-氟甲苯

CAS:452-74-4

分子式:C7H6BrF

分子量: 189.02

InChI:InChI=1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

InChIKey: SLFNGVGRINFJLK-UHFFFAOYSA-N

Smiles:C1(Br)=CC=C(C)C=C1F

¹HNMR

¹³CNMR

FT-IR

Mass

MS-KW-0079          
4-bromo-3-fluorotoluene
C7H6BrF             (Mass of molecular ion:    188)

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

      31.0       2.2
      37.0       1.2
      38.0       1.8
      39.0       5.0
      43.0       1.3
      44.0       9.4
      50.0       4.0
      51.0       2.8
      54.0       2.3
      56.0       1.3
      57.0       8.6
      59.0       2.0
      61.0       2.1
      62.0       4.1
      63.0       6.8
      68.0       2.0
      69.0       1.3
      74.0       2.0
      75.0       1.2
      80.0       1.5
      81.0       6.1
      82.0       2.2
      83.0      19.9
      84.0       5.6
      85.0       5.0
      86.0       1.2
      87.0       1.2
      89.0       3.1
      93.0       1.0
      94.0       3.3
      95.0       1.7
     105.0       1.0
     107.0      14.6
     108.0      16.5
     109.0     100.0
     110.0       7.7
     187.0      12.1
     188.0      74.9
     189.0      17.7
     190.0      73.1
     191.0       5.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br F	0.05 ml : 0.5 ml CDCl₃
4-bromo-3-fluorotoluene

    Assign.     Shift(ppm)

      A             7.356
      B             6.890
      C             6.796
      D             2.281

     Hz     ppm     Int.

   2947.75   7.376    171
   2939.82   7.356    230
   2932.37   7.338    178
   2759.89   6.906    124
   2759.28   6.905    129
   2757.93   6.901    135
   2750.24   6.882    119
   2749.63   6.881    125
   2748.29   6.877    135
   2747.68   6.876    125
   2721.44   6.810    142
   2720.83   6.809    131
   2720.09   6.807    124
   2719.48   6.805    128
   2713.26   6.790    130
   2712.65   6.788    121
   2712.04   6.787    115
   2711.30   6.785    119
    911.87   2.282   1000

in CDCl3