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网站主页CAS数据库列表 13511-38-1更多图谱3-氯特戊酸(13511-38-1)质谱(MS)

3-氯特戊酸

产品名称 3-氯特戊酸

CAS号13511-38-1

分子式C5H9ClO2

分子量136.58

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  • Mass

    MS-KW-0553          
    3-chloro-2,2-dimethylpropionic acid
    C5H9ClO2            (Mass of molecular ion:    136)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.0
          18.0       2.0
          26.0       2.2
          27.0      18.8
          28.0       6.0
          29.0      23.6
          30.0       1.0
          31.0       3.0
          35.0       1.8
          36.0      16.3
          37.0       2.1
          38.0       7.8
          39.0      29.6
          40.0       5.0
          41.0      44.8
          42.0       8.5
          43.0       9.3
          44.0       8.4
          45.0      16.7
          49.0       4.9
          50.0       2.3
          51.0       3.7
          53.0       6.9
          54.0       4.2
          55.0     100.0
          56.0      26.3
          57.0       4.9
          58.0       1.3
          59.0      11.1
          60.0       1.1
          63.0      14.0
          65.0       4.6
          69.0       2.2
          70.0       7.7
          72.0       2.7
          73.0       1.0
          75.0       2.0
          77.0       1.0
          82.0       3.8
          83.0       2.9
          85.0       5.6
          86.0       2.1
          87.0       7.3
          90.0       6.9
          91.0      93.0
          92.0       6.4
          93.0      29.8
          94.0       1.3
         100.0      13.4
         101.0      38.5
         102.0       2.3
         103.0       1.3
         121.0       2.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H9 Cl O2 0.039 g : 0.5 ml CDCl3
    3-chloro-2,2-dimethylpropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.3 B 3.631 C 1.331

         Hz     ppm     Int.
    

       1451.11   3.631    476
        532.38   1.333   1000
    

in CDCl3



KBr disc



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