348-57-2

1-溴-2,4-二氟苯(348-57-2)質(zhì)譜(MS)

產(chǎn)品名稱:1-溴-2,4-二氟苯

CAS:348-57-2

分子式:C6H3BrF2

分子量: 192.99

InChI:InChI=1S/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3H

InChIKey: MGHBDQZXPCTTIH-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6116          
1-bromo-2,4-difluorobenzene
C6H3BrF2            (Mass of molecular ion:    192)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      31.0       5.9
      37.0       4.3
      38.0       2.0
      49.0       1.7
      50.0       5.3
      56.0       3.4
      57.0       3.4
      61.0       5.6
      62.0       9.9
      63.0      43.8
      64.0       2.8
      68.0       7.5
      69.0       3.6
      73.0       1.7
      74.0       5.1
      75.0       2.0
      79.0       1.2
      80.0       1.4
      81.0       4.0
      86.0       1.1
      87.0       2.0
      92.0       3.0
      93.0       6.8
      94.0       4.0
      96.0       5.7
      97.0       5.1
     111.0       1.1
     112.0       8.3
     113.0      83.2
     114.0       5.8
     192.0     100.0
     193.0       7.1
     194.0      96.8
     195.0       6.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Br F₂	0.05 ml : 0.5 ml CDCl₃
1-bromo-2,4-difluorobenzene

    Assign.     Shift(ppm)

      A             7.483
      B             6.874
      C             6.789

     Hz     ppm     Int.

   3002.32   7.513    508
   3000.00   7.507     39
   2996.09   7.497    549
   2994.14   7.492    577
   2993.41   7.491    607
   2991.09   7.485     63
   2988.53   7.478    574
   2987.18   7.475    593
   2985.60   7.471    522
   2985.23   7.470    564
   2982.06   7.462     41
   2979.37   7.455    547
   2759.40   6.905     31
   2757.08   6.899    504
   2754.52   6.893    585
   2751.22   6.885     66
   2748.78   6.878    900
   2745.85   6.871   1000
   2742.55   6.863     66
   2739.87   6.856    504
   2737.30   6.850    586
   2733.89   6.841     30
   2723.39   6.815    510
   2722.05   6.812    486
   2720.58   6.808    401
   2719.12   6.804    383
   2715.58   6.795    514
   2714.48   6.793    598
   2713.13   6.789    558
   2712.65   6.788    477
   2711.67   6.786    516
   2711.30   6.785    528
   2710.33   6.782    406
   2706.67   6.773    474
   2705.32   6.770    425
   2703.86   6.766    366
   2702.39   6.762    388

in CDCl3