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618-46-2

3-氯苯甲酰氯(618-46-2)核磁图(1HNMR)

产品名称:3-氯苯甲酰氯

CAS:618-46-2

分子式:C7H4Cl2O

分子量: 175.01

InChI:InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H

InChIKey: WHIHIKVIWVIIER-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5124          
    m-chlorobenzoyl chloride
    C7H4Cl2O            (Mass of molecular ion:    174)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       1.3
          36.0       2.3
          37.0       3.7
          37.5       3.5
          38.0       7.5
          49.0       2.5
          50.0      16.2
          51.0       5.0
          55.5       4.4
          56.5       1.3
          61.0       1.8
          69.5       7.1
          70.5       2.4
          73.0       3.1
          74.0       9.3
          75.0      25.5
          76.0       6.5
          84.0       1.6
          85.0       3.3
          87.0       1.0
         110.0       1.1
         111.0      47.6
         112.0       3.5
         113.0      15.1
         114.0       1.1
         139.0     100.0
         140.0       7.9
         141.0      31.4
         142.0       2.6
         174.0      10.8
         175.0       1.1
         176.0       7.2
         178.0       1.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H4 Cl2 O 0.04 ml : 0.5 ml CDCl3
    m-chlorobenzoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.05 B 8.00 C 7.633 D 7.471

         Hz     ppm     Int.
    

        726.50   8.112     36
        726.06   8.107     40
        723.69   8.081    229
        722.88   8.072    371
        721.94   8.061    731
        721.13   8.052   1000
        719.94   8.039    883
        719.56   8.035    881
        717.75   8.015    147
        716.50   8.001     89
        715.38   7.988     99
        713.75   7.970    438
        712.25   7.953    617
        710.56   7.934    342
        709.00   7.917     68
        706.88   7.893     30
        692.38   7.731     41
        691.06   7.717    180
        689.50   7.699    258
        687.50   7.677    212
        685.94   7.660     45
        683.00   7.627    533
        681.56   7.611    561
        681.06   7.605    578
        679.50   7.588    418
        675.06   7.538    577
        674.25   7.529    531
        671.88   7.503     62
        671.19   7.495     57
        670.81   7.491     54
        670.06   7.482     69
        667.69   7.456    432
        667.00   7.448    579
        666.19   7.439    234
        663.94   7.414     42
        662.56   7.398     37
        662.13   7.394     39
        659.81   7.368    172
        659.00   7.359    183
    

in CDCl3

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liquid film

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