403-43-0

4-氟苯甲酰氯(403-43-0)紅外圖譜(IR1)

產品名稱:4-氟苯甲酰氯

CAS:403-43-0

分子式:C7H4ClFO

分子量: 158.56

InChI:InChI=1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H

InChIKey: CZKLEJHVLCMVQR-UHFFFAOYSA-N

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

Mass

MS-NW-7787          
p-fluorobenzoyl chloride
C7H4ClFO            (Mass of molecular ion:    158)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.0
      31.0       1.7
      37.0       2.6
      38.0       1.9
      39.0       1.0
      47.5       3.1
      49.0       1.4
      50.0       8.0
      51.0       3.5
      57.0       1.4
      61.0       1.5
      61.5       5.5
      62.0       1.9
      63.0       1.5
      65.0       1.0
      68.0       3.7
      69.0       5.5
      73.0       1.2
      74.0       5.1
      75.0      18.8
      76.0       1.7
      93.0       1.3
      94.0       4.0
      95.0      54.6
      96.0       3.8
     123.0     100.0
     124.0       7.8
     158.0       3.7
     160.0       1.1

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₄ Cl F O	0.05 ml : 0.5 ml CDCl₃
p-fluorobenzoyl chloride

    Assign.     Shift(ppm)

      A             8.130
      B             7.171
     
     J(F-19,A)=5.2HZ
     J(F-19,B)=8.1HZ

     Hz     ppm     Int.

    743.00   8.297     33
    738.56   8.247    121
    737.75   8.238     96
    735.63   8.214    727
    733.44   8.190    353
    730.44   8.156    778
    728.63   8.136    456
    726.50   8.112    896
    723.50   8.079    420
    721.25   8.054    861
    718.38   8.022    154
    715.94   7.994     46
    653.38   7.296    132
    650.50   7.264    957
    648.25   7.239    310
    645.25   7.205    201
    643.50   7.186    366
    642.31   7.172   1000
    641.31   7.161    858
    640.13   7.148    391
    638.44   7.129    183
    635.38   7.095    285
    633.19   7.071    697
    630.31   7.038    115

¹H NMR	399.65 MHz
C₇ H₄ Cl F O	0.05 ml : 0.5 ml CDCl₃
p-fluorobenzoyl chloride

    Assign.     Shift(ppm)

      A             8.150
      B             7.194

     Hz     ppm     Int.

   3267.94   8.178    113
   3265.01   8.170    840
   3262.82   8.165    350
   3259.77   8.157    877
   3257.93   8.152    433
   3255.98   8.148    794
   3252.81   8.140    375
   3250.85   8.135    789
   3247.68   8.127    126
   2886.35   7.223    113
   2883.42   7.215    880
   2881.23   7.210    270
   2878.30   7.203    150
   2876.46   7.198    378
   2875.37   7.195   1000
   2874.51   7.193    881
   2873.17   7.190    347
   2871.34   7.185    137
   2868.41   7.178    282
   2866.46   7.173    739
   2863.28   7.165    114

in CDCl3