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网站主页CAS数据库列表 67329-11-7更多图谱3,3'-二氯特戊酸(67329-11-7)质谱(MS)

3,3'-二氯特戊酸

产品名称 3,3'-二氯特戊酸

CAS号67329-11-7

分子式C5H8Cl2O2

分子量171.02

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  • Mass

    MS-NW-6509          
    2,2-bis(chloromethyl)propionic acid
    C5H8Cl2O2           (Mass of molecular ion:    170)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       3.5
          18.0       1.8
          26.0       5.4
          27.0      38.5
          28.0       5.3
          29.0      30.9
          31.0       2.8
          35.0       3.1
          36.0      23.3
          37.0       4.7
          38.0       8.4
          39.0      68.1
          40.0       8.6
          41.0      82.5
          42.0       5.3
          43.0      10.4
          44.0      13.1
          45.0      21.2
          47.0       1.7
          48.0       1.7
          49.0      23.6
          50.0       4.9
          51.0       8.4
          52.0       3.1
          53.0      61.5
          54.0      22.6
          55.0      74.8
          56.0       3.9
          57.0      10.6
          58.0       1.0
          60.0       1.0
          61.0       3.8
          62.0       4.3
          63.0      40.7
          64.0       2.4
          65.0      12.7
          68.0       1.0
          69.0      31.7
          70.0       2.6
          71.0       5.5
          73.0       3.3
          74.0       1.2
          75.0      14.6
          76.0       1.3
          77.0       6.7
          81.0       4.2
          83.0       6.1
          85.0      16.3
          86.0       2.9
          87.0       1.6
          88.0       2.5
          89.0      61.6
          90.0      67.5
          91.0      22.4
          92.0      22.9
          93.0       2.5
          97.0       1.6
          98.0      13.1
          99.0      54.8
         100.0       3.6
         103.0       9.1
         104.0       7.0
         105.0       3.6
         106.0       2.4
         116.0       1.1
         119.0       2.1
         121.0     100.0
         122.0       4.7
         123.0      31.5
         124.0       5.1
         125.0      19.9
         126.0       3.3
         127.0      12.4
         128.0       1.0
         129.0       2.0
         134.0      10.6
         135.0      70.0
         136.0       7.2
         137.0      22.9
         138.0       1.4
         155.0       1.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H8 Cl2 O2 0.047 g : 0.5 ml CDCl3
    2,2-bis(chloromethyl)propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.66 B *1 3.86 C *1 3.77 D 1.423 J(B,C)=11.3HZ.

         Hz     ppm     Int.
    

       1044.10  11.659    104
        355.64   3.971     87
        344.27   3.845    503
        339.06   3.786    566
        327.70   3.660     93
        127.49   1.424   1000
    

in CDCl3



KBr disc



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