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401-56-9

氯氟乙酸乙酯(401-56-9)质谱(MS)

产品名称:氯氟乙酸乙酯

CAS:401-56-9

分子式:C4H6ClFO2

分子量: 140.54

InChI:InChI=1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey: WUHVJSONZHSDFC-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(Cl)F

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    Mass

    MS-IW-9054          
    ethyl chlorofluoroacetate
    C4H6ClFO2           (Mass of molecular ion:    140)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.1
          26.0       1.7
          27.0      18.0
          28.0      12.3
          29.0     100.0
          30.0       2.4
          31.0       1.9
          32.0       2.3
          43.0       2.0
          45.0       2.4
          49.0       2.8
          60.0       5.0
          61.0       7.0
          63.0       1.0
          67.0      21.4
          69.0       7.2
          73.0       1.3
          77.0       1.4
          97.0       3.8
          99.0       1.2
         105.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H6 Cl F O2 0.05 ml : 0.5 ml CDCl3
    ethyl chlorofluoroacetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.302 B 4.355 C 1.361

         Hz     ppm     Int.
    

       2544.31   6.367    472
       2494.02   6.241    486
       1751.46   4.383    198
       1747.31   4.373     29
       1744.38   4.365    501
       1737.18   4.347    509
       1734.01   4.339     29
       1729.98   4.329    205
        551.27   1.380    671
        548.71   1.373     34
        544.19   1.362   1000
        541.02   1.354     51
        538.82   1.349     37
        536.99   1.344    645
    

in CDCl3

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liquid film

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