348-61-8

3,4-二氟溴苯(348-61-8)Raman光谱

产品名称:3,4-二氟溴苯

CAS:348-61-8

分子式:C6H3BrF2

分子量: 192.99

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

InChIKey: YMQPKONILWWJQG-UHFFFAOYSA-N

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

Mass

MS-NW-8612          
4-bromo-1,2-difluorobenzene
C6H3BrF2            (Mass of molecular ion:    192)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      31.0       5.8
      37.0       4.7
      38.0       2.4
      49.0       2.0
      50.0       6.8
      56.0       3.4
      57.0       2.8
      61.0       7.3
      62.0      13.2
      63.0      48.5
      64.0       2.7
      68.0       8.6
      69.0       3.3
      73.0       2.0
      74.0       6.5
      75.0       3.2
      79.0       1.3
      80.0       1.9
      81.0       4.7
      86.0       1.0
      87.0       2.9
      92.0       3.7
      93.0       8.3
      94.0       4.4
      96.0       3.6
      97.0       3.4
     111.0       1.0
     112.0       8.2
     113.0     100.0
     114.0       6.5
     192.0      97.1
     193.0       6.8
     194.0      94.6
     195.0       6.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Br F₂	0.02 ml : 0.3 ml CDCl₃
4-bromo-1,2-difluorobenzene

    Assign.     Shift(ppm)

      A             7.318
      B             7.208
      C             7.044
     
     3-BOND COUPLING
     J(B,F-19)=2.0HZ
     4-BOND COUPLING
     J(B,F-19)=4.4HZ

     Hz     ppm     Int.

   2977.17   7.450     33
   2934.20   7.342    584
   2931.76   7.336    626
   2927.12   7.325    608
   2924.56   7.318   1000
   2922.12   7.312    650
   2917.36   7.300    574
   2915.04   7.294    637
   2911.62   7.286     38
   2897.09   7.250     31
   2896.48   7.248     32
   2894.17   7.242     39
   2892.46   7.238     46
   2892.21   7.237     46
   2889.40   7.230    368
   2887.70   7.226    400
   2887.08   7.225    392
   2885.38   7.220    612
   2883.79   7.216    420
   2883.06   7.214    393
   2881.35   7.210    379
   2880.62   7.208    503
   2878.91   7.204    509
   2878.30   7.203    502
   2876.59   7.198    766
   2875.00   7.194    499
   2874.27   7.192    477
   2872.56   7.188    414
   2869.38   7.180     32
   2831.91   7.086     37
   2827.64   7.076    661
   2823.49   7.065     56
   2819.34   7.055    774
   2817.63   7.051    737
   2812.99   7.039     70
   2810.67   7.033    571
   2809.33   7.030    796
   2800.66   7.008    515

in CDCl3