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氯乙酸(79-11-8)Raman光谱

产品名称:氯乙酸

CAS:79-11-8

分子式:C2H3ClO2

分子量: 94.5

InChI:InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey: FOCAUTSVDIKZOP-UHFFFAOYSA-N

Smiles:C(O)(=O)CCl


  • Mass

    MS-NW-6818          
    chloroacetic acid
    C2H3ClO2            (Mass of molecular ion:     94)
    

       Source Temperature: 260 °C
       Sample Temperature: 200 °C
       Reservoir, 75 eV
    

          13.0       2.0
          14.0       4.7
          15.0       2.5
          17.0       5.5
          18.0      22.6
          28.0       4.2
          29.0       5.6
          31.0       5.6
          35.0       1.9
          36.0       3.3
          38.0       1.2
          41.0       2.0
          42.0       6.6
          44.0       3.0
          45.0      28.8
          47.0       2.8
          48.0       5.2
          49.0      35.2
          50.0     100.0
          51.0      12.1
          52.0      31.2
          77.0       3.2
          79.0       1.1
          94.0       5.8
          96.0       1.9
         108.0       1.0
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C2 H3 Cl O2 0.038 g : 0.5 ml CDCl3
    chloroacetic acid
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 11.26 D(B) 4.147

         Hz     ppm     Int.
    

       3377.98  11.260    227
       1244.10   4.147   1000
    

in CDCl3



KBr disc



4880 A,200 M,powder



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