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812-03-3

1,1,1,2-TETRACHLOROPROPANE(812-03-3)红外图谱(IR1)

分子式:C3H4Cl4

分子量: 181.88

InChI:InChI=1S/C3H4Cl4/c1-2(4)3(5,6)7/h2H,1H3

InChIKey: FEKGWIHDBVDVSM-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4906          
    1,1,1,2-tetrachloropropane
    C3H4Cl4             (Mass of molecular ion:    180)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.0
          18.0       1.4
          25.0       2.4
          26.0       7.2
          27.0      45.7
          28.0       1.6
          35.0      10.0
          36.0       9.6
          37.0      14.6
          38.0      15.6
          39.0      46.3
          40.0       1.9
          44.0       1.4
          47.0      11.0
          48.0       2.8
          49.0      18.9
          50.0       1.0
          51.0       5.5
          60.0       5.3
          61.0       4.7
          62.0       4.2
          63.0     100.0
          64.0       3.0
          65.0      30.1
          71.0       1.3
          72.0       4.7
          73.0      17.5
          74.0       3.2
          75.0      30.1
          76.0       1.5
          77.0       8.8
          82.0       6.8
          83.0      21.4
          84.0       4.9
          85.0      13.3
          87.0       2.3
          94.0       1.1
          95.0       2.6
          96.0       1.0
          97.0       5.3
          99.0       2.4
         107.0       1.5
         109.0      49.1
         110.0       7.8
         111.0      32.1
         112.0       4.7
         113.0       5.7
         117.0       9.7
         119.0       9.2
         121.0       3.1
         129.0       1.0
         130.0       4.2
         131.0       1.0
         132.0       4.1
         134.0       1.3
         143.0       1.8
         145.0      49.5
         146.0       2.4
         147.0      43.5
         148.0       1.8
         149.0      14.8
         151.0       1.7
         181.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H4 Cl4 0.02 ml : 0.5 ml CDCl3
    1,1,1,2-tetrachloropropane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.853 B 4.593

         Hz     ppm     Int.
    

        421.25   4.704     76
        414.75   4.631    221
        408.31   4.560    223
        401.94   4.488     87
        169.06   1.888   1000
        162.56   1.816    940
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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