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18495-30-2

四氯丙烷(18495-30-2)质谱(MS)

产品名称:四氯丙烷

CAS:18495-30-2

分子式:C3H4Cl4

分子量: 181.88

InChI:InChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2

InChIKey: BUQMVYQMVLAYRU-UHFFFAOYSA-N

Smiles:C(Cl)(Cl)C(Cl)CCl

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    Mass

    MS-NW-4377          
    1,1,2,3-tetrachloropropane
    C3H4Cl4             (Mass of molecular ion:    180)
    

       Source Temperature: 220 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.1
          26.0       3.7
          27.0       4.1
          35.0       2.5
          36.0       2.5
          37.0       5.1
          38.0       6.8
          39.0      14.8
          47.0       3.1
          48.0       3.1
          49.0      23.1
          50.0       1.1
          51.0       7.5
          60.0       2.0
          61.0      22.1
          62.0     100.0
          63.0       9.1
          64.0      31.7
          72.0       1.2
          73.0       6.8
          75.0       6.0
          77.0       1.4
          83.0      38.0
          85.0      24.7
          87.0       4.1
          95.0       6.7
          96.0       8.4
          97.0      39.0
          98.0       6.0
          99.0      22.9
         100.0       1.4
         101.0       3.6
         109.0      73.7
         110.0       2.7
         111.0      47.2
         112.0       1.7
         113.0       7.6
         131.0       1.6
         133.0       1.7
         144.0       8.3
         145.0       2.9
         146.0       8.1
         147.0       2.5
         148.0       2.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H4 Cl4 0.02 ml : 0.5 ml CDCl3
    1,1,2,3-tetrachloropropane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.153 B 4.398 C *1 3.92 D *1 3.90 J(A,B)=3.5HZ J(B,C)=6.1HZ J(B,D)=6.7HZ J(C,D)=-13.8HZ

         Hz     ppm     Int.
    

        552.81   6.173    459
        549.38   6.135    461
        402.81   4.498    110
        399.44   4.461    100
        396.75   4.430    132
        396.13   4.424    205
        393.44   4.394    136
        392.75   4.386    197
        390.13   4.357    192
        386.75   4.319    185
        366.38   4.091     57
        352.50   3.936   1000
        346.25   3.867    506
        338.50   3.780     57
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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