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3024-72-4

3,4-二氯苯甲酰氯(3024-72-4)核磁图(1HNMR)

分子式:C7H3Cl3O

分子量: 209.46

InChI:InChI=1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H

InChIKey: VTXNOVCTHUBABW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2900          
    3,4-dichlorobenzoyl chloride
    C7H3Cl3O            (Mass of molecular ion:    208)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          28.0       1.3
          36.0       2.0
          37.0       4.4
          38.0       1.8
          49.0       2.5
          50.0       5.6
          51.0       1.0
          54.0       3.4
          55.0       3.3
          56.0       1.1
          60.0       1.1
          61.0       2.1
          62.0       1.2
          72.0       2.1
          72.5       1.3
          73.0       4.7
          74.0      16.3
          75.0      14.1
          84.0       5.0
          85.0       2.6
          86.0       4.3
          87.0       2.5
         108.0       1.1
         109.0      17.0
         110.0       6.0
         111.0       6.2
         112.0       1.9
         123.0       1.3
         138.0       1.0
         139.0       1.3
         145.0      36.1
         146.0       2.8
         147.0      22.5
         148.0       1.6
         149.0       3.7
         173.0     100.0
         174.0       8.6
         175.0      66.0
         176.0       5.3
         177.0      10.7
         193.0       8.8
         195.0       8.7
         197.0       2.7
         208.0       9.9
         210.0       9.8
         212.0       3.1
         228.0       1.1
         230.0       1.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H3 Cl3 O 0.05 ml : 0.5 ml CDCl3
    3,4-dichlorobenzoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.165 B 7.928 C 7.599

         Hz     ppm     Int.
    

        732.50   8.179    754
        732.13   8.175    624
        730.38   8.156    958
        730.00   8.151    760
        728.25   8.132     38
        716.19   7.997    538
        714.06   7.973    387
        707.75   7.903    790
        705.56   7.879    711
        685.81   7.658     27
        683.94   7.637   1000
        675.50   7.543    627
        675.13   7.539    518
    

in CDCl3

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liquid film

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