2-氟-4-溴-甲苯(51436-99-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-氟-4-溴-甲苯

CAS:51436-99-8

分子式:C7H6BrF

分子量: 189.02

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

InChIKey: YZFVUQSAJMLFOZ-UHFFFAOYSA-N

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

Mass

MS-IW-7546          
4-bromo-2-fluorotoluene
C7H6BrF             (Mass of molecular ion:    188)

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

      31.0       1.6
      38.0       1.4
      39.0       3.5
      43.0       1.3
      44.0       6.3
      50.0       3.3
      51.0       2.5
      54.0       3.3
      57.0       6.8
      59.0       1.7
      61.0       1.9
      62.0       3.6
      63.0       5.7
      68.0       1.3
      74.0       1.8
      75.0       1.2
      80.0       1.1
      81.0       5.1
      82.0       1.8
      83.0      16.0
      84.0       3.1
      85.0       2.8
      86.0       1.0
      89.0       3.0
      94.0       2.5
      95.0       1.9
     107.0      13.7
     108.0      15.5
     109.0     100.0
     110.0       8.1
     187.0      15.2
     188.0      73.2
     189.0      20.6
     190.0      71.2
     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-2-fluorotoluene

    Assign.     Shift(ppm)

      A             7.28
      B             7.156
      C             2.339

     Hz     ppm     Int.

   2917.72   7.301    160
   2915.77   7.296    280
   2913.45   7.291    212
   2913.09   7.290    207
   2908.57   7.278    181
   2908.20   7.277    179
   2906.01   7.272    482
   2903.93   7.267    189
   2866.58   7.173    151
   2866.21   7.172    152
   2865.84   7.171    139
   2858.89   7.154    222
   2858.28   7.152    235
   2855.96   7.147     46
   2852.66   7.138     37
   2851.93   7.137     41
   2850.46   7.133    100
   2849.73   7.131    107
    936.04   2.343    852
    933.96   2.337   1000

in CDCl3