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625-36-5

3-氯丙酰氯(625-36-5)红外图谱(IR1)

产品名称:3-氯丙酰氯

CAS:625-36-5

分子式:C3H4Cl2O

分子量: 126.97

InChI:InChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2

InChIKey: INUNLMUAPJVRME-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCl

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    Mass

    MS-NW-2896          
    3-chloropropionyl chloride
    C3H4Cl2O            (Mass of molecular ion:    126)
    

       Source Temperature: 210 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.7
          25.0       3.1
          26.0      15.3
          27.0      88.3
          28.0       9.6
          29.0       1.2
          35.0       2.8
          36.0       8.4
          37.0       1.1
          38.0       2.7
          42.0       3.4
          49.0       4.9
          51.0       1.4
          55.0      24.7
          61.0       2.8
          62.0       7.3
          63.0      46.1
          64.0       3.3
          65.0      14.5
          91.0     100.0
          92.0       3.5
          93.0      31.1
          94.0       1.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H4 Cl2 O 0.05 ml : 0.5 ml CDCl3
    3-chloropropionyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.762 B 3.363

         Hz     ppm     Int.
    

        344.81   3.851    325
        343.63   3.837    364
        342.06   3.820     23
        341.75   3.816     23
        338.88   3.784    391
        338.13   3.776    467
        337.44   3.768   1000
        332.13   3.709    624
        331.44   3.701    619
        329.00   3.674     60
        309.25   3.453     51
        306.81   3.426    593
        306.13   3.419    623
        303.06   3.384     23
        300.81   3.359    979
        300.13   3.352    476
        299.38   3.343    407
        296.88   3.315     28
        294.63   3.290    350
        293.44   3.277    322
    

in CDCl3

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liquid film

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