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氯乙酸乙烯酯(2549-51-1)红外图谱(IR1)

产品名称:氯乙酸乙烯酯

CAS:2549-51-1

分子式:C4H5ClO2

分子量: 120.53

InChI:InChI=1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2

InChIKey: XJELOQYISYPGDX-UHFFFAOYSA-N

Smiles:C(OC=C)(=O)CCl


  • Mass

    MS-NW-5075          
    vinyl chloroacetate
    C4H5ClO2            (Mass of molecular ion:    120)
    

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

          13.0       1.2
          14.0       5.5
          15.0       8.2
          26.0       3.7
          27.0      22.5
          28.0       2.8
          29.0       5.1
          31.0       2.9
          36.0       1.7
          41.0       1.6
          42.0      17.5
          43.0       5.7
          44.0       9.0
          47.0       1.1
          48.0       2.7
          49.0      48.0
          50.0       1.7
          51.0      15.7
          55.0       1.2
          57.0      20.4
          71.0       2.7
          76.0      10.6
          77.0     100.0
          78.0       6.0
          79.0      32.9
          92.0       2.6
         120.0      10.9
         122.0       3.7
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C4 H5 Cl O2 10.5 mol% in CDCl3
    vinyl chloroacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.996 D(B) 4.700 D(C) 7.266 J(A,B) 1.99 J(A,C) 13.83 J(B,C) 6.24 D(D) 4.150

         Hz     ppm     Int.
    

       2189.91   7.300    244
       2183.69   7.279    249
       2176.09   7.254    255
       2169.89   7.233    258
       1506.64   5.022    259
       1504.70   5.016    270
       1492.81   4.976    249
       1490.87   4.970    259
       1414.10   4.714    268
       1412.13   4.707    258
       1407.85   4.693    265
       1405.88   4.686    253
       1245.00   4.150   1000
    

in CDCl3



liquid film



4880 A,200 M,liquid



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