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96-34-4

氯乙酸甲酯(96-34-4)質(zhì)譜(MS)

產(chǎn)品名稱:氯乙酸甲酯

CAS:96-34-4

分子式:C3H5ClO2

分子量: 108.52

InChI:InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3

InChIKey: QABLOFMHHSOFRJ-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCl

  • 圖譜
    Mass 

    MS-NW-2175          
methyl chloroacetate
C3H5ClO2            (Mass of molecular ion:    108)


       Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          13.0       1.3
      14.0       5.2
      15.0      35.8
      18.0       1.0
      27.0       1.2
      28.0       5.4
      29.0      19.1
      30.0       1.3
      31.0       3.6
      41.0       1.4
      42.0      12.2
      43.0       1.4
      45.0       2.9
      47.0       1.5
      48.0       3.1
      49.0      44.4
      50.0       1.6
      51.0      14.2
      59.0     100.0
      60.0       2.2
      64.0      16.7
      66.0       5.2
      76.0       2.4
      77.0      27.1
      78.0       1.4
      79.0       9.2
     108.0       6.3
     110.0       2.1

parameter in CDCl3

90 MHz in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C3 H5 Cl O2 10.2 mol% in CDCl3
    methyl chloroacetate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         4.083
     
      D(B)         3.802
  

         Hz     ppm     Int.


       1224.90   4.083    667
   1140.60   3.802   1000

  • 圖譜

    1H NMR 89.56 MHz
    C3 H5 Cl O2 0.02 ml : 0.5 ml CDCl3
    methyl chloroacetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.08
      B             3.81
  

         Hz     ppm     Int.


        365.56   4.082    584
    340.94   3.807   1000
    339.19   3.788     26

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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