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598-78-7

2-氯丙酸(598-78-7)质谱(MS)

产品名称:2-氯丙酸

CAS:598-78-7

分子式:C3H5ClO2

分子量: 108.52

InChI:InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)

InChIKey: GAWAYYRQGQZKCR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2954          
    2-chloropropionic acid
    C3H5ClO2            (Mass of molecular ion:    108)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.3
          15.0       2.9
          18.0       1.6
          25.0       2.3
          26.0      22.5
          27.0      78.7
          28.0     100.0
          29.0      47.7
          30.0       1.5
          35.0       1.7
          36.0      11.6
          38.0       3.7
          42.0       1.1
          43.0       5.1
          44.0       3.4
          45.0      28.4
          46.0       1.2
          49.0       1.7
          53.0       1.1
          55.0       9.1
          56.0       3.7
          57.0       1.5
          61.0       2.1
          62.0       7.2
          63.0      46.9
          64.0      62.7
          65.0      16.2
          66.0      18.8
          72.0       2.1
          73.0       6.5
          74.0       3.3
          91.0       1.2
         108.0       1.3
    

parameter in CDCl3

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    1H NMR 300 MHz
    C3 H5 Cl O2 0.02 ml : 0.5 ml CDCl3
    2-chloropropionic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 11.5 D(B) 4.453 D(C) 1.742 J(B,C) 6.99

         Hz     ppm     Int.
    

       3444.87  11.483    339
       1346.46   4.488     84
       1339.52   4.465    254
       1332.49   4.442    259
       1325.56   4.419     89
        526.12   1.754   1000
        519.18   1.731    983
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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