4-溴-2-氟乙酰苯胺(326-66-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-溴-2-氟乙酰苯胺

CAS:326-66-9

分子式:C8H7BrFNO

分子量: 232.05

InChI:InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)

InChIKey: BCYGKMDWQBWUSC-UHFFFAOYSA-N

Smiles:C(NC1=CC=C(Br)C=C1F)(=O)C

Mass

MS-IW-2667          
4'-bromo-2'-fluoroacetanilide
C8H7BrFNO           (Mass of molecular ion:    231)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       3.0
      31.0       2.9
      37.0       1.4
      38.0       2.2
      39.0       2.3
      41.0       1.0
      42.0       2.3
      43.0      64.8
      44.0       1.9
      50.0       2.9
      51.0       1.9
      52.0       2.0
      54.5       1.3
      56.0       2.4
      57.0       7.3
      61.0       2.3
      62.0       3.1
      63.0       7.8
      64.0       1.7
      68.0       1.3
      74.0       1.5
      75.0       1.4
      80.0       1.3
      81.0       7.9
      82.0       8.6
      83.0      16.4
      84.0       2.5
      89.0       1.5
      90.0      10.0
      91.0       1.4
      93.0       1.0
      94.0       2.7
     107.0       1.1
     108.0       3.9
     109.0       8.6
     110.0      21.0
     111.0      10.7
     151.0       1.3
     153.0       1.4
     155.0       3.5
     161.0       5.3
     163.0       5.0
     188.0       1.5
     189.0     100.0
     190.0       8.6
     191.0      97.6
     192.0       7.0
     204.0       1.0
     231.0      17.1
     232.0       1.6
     233.0      16.8
     234.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₇ Br F N O	0.035 g : 0.5 ml DMSO-d₆
4'-bromo-2'-fluoroacetanilide

    Assign.     Shift(ppm)

      A             9.79
      B             7.897
      C             7.554
      D             7.356
      E             2.097
     
     J(F-19,B)=8.5HZ
     J(F-19,C)=10.4HZ
     J(F-19,D)=1.2HZ
     J(B,D)=8.6HZ
     J(C,D)=2.2HZ

     Hz     ppm     Int.

   3910.83   9.786     85
   3164.98   7.920     51
   3156.43   7.898    100
   3147.89   7.877     55
   3025.36   7.571    161
   3023.07   7.565    168
   3014.83   7.544    162
   3012.70   7.539    170
   2945.86   7.372     90
   2944.64   7.369    109
   2943.88   7.367    108
   2942.66   7.364    100
   2937.16   7.350     84
   2936.10   7.347    102
   2935.18   7.345    102
   2933.96   7.342     94
    838.17   2.098   1000

in DMSO-d6