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105-39-5

氯乙酸乙酯(105-39-5)红外图谱(IR2)

产品名称:氯乙酸乙酯

CAS:105-39-5

分子式:C4H7ClO2

分子量: 122.55

InChI:InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChIKey: VEUUMBGHMNQHGO-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCl

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    Mass

    MS-NW-2176          
    ethyl chloroacetate
    C4H7ClO2            (Mass of molecular ion:    122)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       2.2
          15.0       2.4
          26.0       2.1
          27.0      18.5
          28.0      20.6
          29.0     100.0
          30.0       2.2
          31.0       1.8
          42.0       8.1
          43.0       3.2
          45.0       4.4
          48.0       1.0
          49.0      12.7
          51.0       4.2
          73.0       1.5
          77.0      26.9
          79.0       8.8
          94.0       3.2
          95.0       1.6
          96.0       1.1
         107.0       1.7
    

parameter neat

parameter in CDCl3

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    1H NMR 300 MHz
    C4 H7 Cl O2 neat
    ethyl chloroacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.266 D(B) 4.194 J(A,B) 7.09 D(C) 4.067 RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)

         Hz     ppm     Int.
    

       1268.88   4.230    122
       1261.79   4.206    368
       1254.72   4.182    375
       1247.62   4.159    128
       1220.10   4.067   1000
        386.86   1.290    379
        379.79   1.266    748
        372.69   1.242    365
    

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    1H NMR 300 MHz
    C4 H7 Cl O2 10.8 mol% in CDCl3
    ethyl chloroacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.310 D(B) 4.252 J(A,B) 7.15 D(C) 4.062

         Hz     ppm     Int.
    

       1286.39   4.288    122
       1279.24   4.264    369
       1272.09   4.240    375
       1264.94   4.216    128
       1218.60   4.062   1000
        400.12   1.334    379
        393.00   1.310    748
        385.85   1.286    367
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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