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4300-97-4

氯代特戊酰氯(4300-97-4)核磁图(1HNMR)

产品名称:氯代特戊酰氯

CAS:4300-97-4

分子式:C5H8Cl2O

分子量: 155.02

InChI:InChI=1S/C5H8Cl2O/c1-5(2,3-6)4(7)8/h3H2,1-2H3

InChIKey: MQZNDDUMJVSIMH-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C(C)(C)CCl

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    Mass

    MS-IW-9117          
    3-chloro-2,2-dimethylpropionyl chloride
    C5H8Cl2O            (Mass of molecular ion:    154)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.0
          26.0       1.7
          27.0      11.1
          28.0       8.1
          29.0      17.8
          35.0       1.4
          36.0      11.2
          37.0       1.6
          38.0       5.3
          39.0      19.7
          40.0       2.2
          41.0      13.7
          42.0       2.1
          49.0       4.0
          50.0       1.8
          51.0       2.9
          53.0       6.6
          54.0       4.3
          55.0      77.4
          56.0       5.6
          62.0       1.0
          63.0      13.9
          65.0       4.4
          75.0       3.9
          77.0       3.1
          83.0       1.0
          90.0       6.1
          91.0     100.0
          92.0       6.4
          93.0      32.0
          94.0       1.4
         119.0       2.4
         125.0       1.0
    

parameter in CDCl3

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    1H NMR 300 MHz
    C5 H8 Cl2 O 0.05 ml : 0.5 ml CDCl3
    3-chloro-2,2-dimethylpropionyl chloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.683 D(B) 1.423

         Hz     ppm     Int.
    

       1104.89   3.683    333
        426.91   1.423   1000
    

in CDCl3

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liquid film

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