72482-64-5

2,4-二氟苯甲酰氯(72482-64-5)核磁图(¹³CNMR)

产品名称:2,4-二氟苯甲酰氯

CAS:72482-64-5

分子式:C7H3ClF2O

分子量: 176.55

InChI:InChI=1S/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H

InChIKey: JSWRVDNTKPAJLB-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C1=CC=C(F)C=C1F

Mass

MS-NW-9581          
2,4-difluorobenzoyl chloride
C7H3ClF2O           (Mass of molecular ion:    176)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.7
      37.0       1.2
      50.0       1.8
      56.0       1.1
      57.0       1.4
      61.0       1.9
      62.0       3.6
      63.0      16.4
      64.0       1.0
      68.0       2.6
      69.0       1.3
      70.5       6.2
      74.0       2.9
      75.0       1.4
      81.0       1.5
      93.0       2.3
      94.0       1.2
     112.0       2.0
     113.0      34.9
     114.0       2.4
     141.0     100.0
     142.0       7.8
     158.0       1.1
     176.0       2.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₃ Cl F₂ O	0.035 g : 0.5 ml DMSO-d₆
2,4-difluorobenzoyl chloride

    Assign.     Shift(ppm)

      A             7.985
      B             7.369
      C             7.200

     Hz     ppm     Int.

   3203.49   8.016    500
   3200.93   8.010     41
   3196.78   7.999    574
   3194.70   7.994    995
   3187.99   7.977   1000
   3186.04   7.973    589
   3182.98   7.965     36
   3179.32   7.956    546
   2956.79   7.399    469
   2954.22   7.393    489
   2947.27   7.375    512
   2945.31   7.370    671
   2944.95   7.369    676
   2943.12   7.365    541
   2939.70   7.356     39
   2939.21   7.355     41
   2936.16   7.347    470
   2933.72   7.341    489
   2891.24   7.235    405
   2890.14   7.232    414
   2888.67   7.229    354
   2887.70   7.226    351
   2883.06   7.214    516
   2882.08   7.212    677
   2881.35   7.210    551
   2880.49   7.208    501
   2879.76   7.206    628
   2874.27   7.192    397
   2873.17   7.190    390
   2871.70   7.186    341
   2870.73   7.184    329

in DMSO-d6