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403-43-0

4-氟苯甲酰氯(403-43-0)Raman光谱

产品名称: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

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    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

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

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

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liquid film

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4880 A,200 M,liquid

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