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75-99-0

2,2-二氯丙酸(75-99-0)核磁图(13CNMR)

产品名称:2,2-二氯丙酸

CAS:75-99-0

分子式:C3H4Cl2O2

分子量: 142.97

InChI:InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)

InChIKey: NDUPDOJHUQKPAG-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4939          
    2,2-dichloropropionic acid
    C3H4Cl2O2           (Mass of molecular ion:    142)
    

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

          12.0       1.0
          13.0       1.3
          14.0       3.4
          15.0      10.3
          18.0       1.3
          25.0       4.4
          26.0      21.1
          27.0      67.6
          28.0      11.6
          29.0       3.7
          35.0       5.4
          36.0      24.9
          37.0       1.8
          38.0       8.0
          41.0       1.3
          42.0       4.5
          43.0      23.0
          44.0       4.0
          45.0      25.4
          47.0       2.2
          48.0       3.8
          49.0       3.1
          50.0       1.6
          53.0       2.8
          55.0       1.3
          60.0       3.3
          61.0      31.6
          62.0     100.0
          63.0      16.3
          64.0      31.9
          65.0       2.8
          71.0       2.7
          72.0       1.0
          79.0       5.6
          81.0       1.8
          83.0       1.9
          84.0       2.0
          85.0       1.2
          86.0       1.2
          89.0       5.6
          90.0       1.4
          91.0       2.0
          96.0       3.2
          97.0      60.3
          98.0       7.7
          99.0      39.3
         100.0       4.1
         101.0       6.7
         106.0       3.8
         107.0      21.4
         108.0       1.9
         109.0       7.1
    

parameter in CDCl3

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    1H NMR 300 MHz
    C3 H4 Cl2 O2 0.02 ml : 0.5 ml CDCl3
    2,2-dichloropropionic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 10.29 D(B) 2.334

         Hz     ppm     Int.
    

       3086.97  10.290    333
        700.22   2.334   1000
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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