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2234-16-4

2,4-二氯苯乙酮(2234-16-4)核磁图(1HNMR)

产品名称:2,4-二氯苯乙酮

CAS:2234-16-4

分子式:C8H6Cl2O

分子量: 189.04

InChI:InChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3

InChIKey: XMCRWEBERCXJCH-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(Cl)C=C1Cl)C

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    Mass

    MS-NW-2852          
    2',4'-dichloroacetophenone
    C8H6Cl2O            (Mass of molecular ion:    188)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.9
          28.0       1.4
          37.0       1.4
          42.0       1.2
          43.0      27.8
          44.0       1.0
          49.0       1.2
          50.0       4.4
          51.0       1.4
          61.0       1.4
          62.0       1.6
          63.0       1.9
          73.0       2.6
          74.0       9.5
          75.0      10.7
          84.0       2.4
          85.0       2.1
          86.0       1.1
          86.5       1.2
          89.0       1.8
         109.0      11.4
         110.0       4.9
         111.0       5.3
         112.0       1.7
         125.0       1.1
         138.0       1.0
         145.0      24.7
         146.0       2.9
         147.0      15.7
         148.0       1.7
         149.0       2.5
         173.0     100.0
         174.0       7.7
         175.0      64.1
         176.0       5.0
         177.0      10.4
         188.0      16.1
         189.0       1.5
         190.0      10.4
         192.0       1.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H6 Cl2 O 0.04 ml : 0.5 ml CDCl3
    2',4'-dichloroacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.53 B 7.43 C 7.32 D 2.635

         Hz     ppm     Int.
    

        679.81   7.591     63
        679.38   7.586     56
        671.56   7.499    132
        671.13   7.494    125
        667.06   7.449     84
        666.63   7.444     87
        665.13   7.427    135
        658.63   7.355    124
        656.69   7.333     83
        650.38   7.262     58
        648.44   7.241     44
        236.00   2.636   1000
    

in CDCl3

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liquid film

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4880 A,200 M,powder

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