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598-77-6

1,1,2-三氯丙烷(598-77-6)红外图谱(IR1)

产品名称:1,1,2-三氯丙烷

CAS:598-77-6

分子式:C3H5Cl3

分子量: 147.43

InChI:InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3

InChIKey: GRSQYISVQKPZCW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0959          
    1,1,2-trichloropropane
    C3H5Cl3             (Mass of molecular ion:    146)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.2
          27.0      27.3
          35.0       1.4
          36.0       1.7
          37.0       3.0
          38.0       4.2
          39.0      17.3
          40.0       1.5
          41.0       5.0
          47.0       1.5
          48.0       1.5
          49.0       7.4
          51.0       2.2
          61.0       3.0
          62.0      32.6
          63.0     100.0
          64.0      12.0
          65.0      31.1
          73.0       1.6
          75.0      14.5
          76.0       1.7
          77.0       4.6
          83.0       6.6
          85.0       4.2
          95.0       1.9
          97.0       3.1
          99.0       1.3
         110.0       1.1
         111.0       3.1
         113.0       1.7
    

90 MHz in CDCl3

parameter in CCl4

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    1H NMR 89.56 MHz
    C3 H5 Cl3 0.04 ml : 0.5 ml CDCl3
    1,1,2-trichloropropane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.854 B 4.344 C 1.689 J(A,B)=3.6HZ J(B,C)=6.5HZ

         Hz     ppm     Int.
    

        526.13   5.875    386
        522.56   5.835    401
        401.00   4.478     37
        397.44   4.438     36
        394.38   4.404    105
        390.81   4.364    102
        387.88   4.331    113
        384.31   4.292    105
        381.44   4.260     44
        377.81   4.219     42
        154.50   1.726   1000
        152.19   1.700     24
        147.94   1.652    945
        145.69   1.627     24
    

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    1H NMR 300 MHz
    C3 H5 Cl3 10 vol% in CCl4
    1,1,2-trichloropropane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.83 D(B) 4.32 D(C) 1.69 J(A,B) 3.8 J(A,C) 0.0 J(B,C) 6.6 WHITE,H.F. ANAL.CHEM. 36, 1291 (1964)

         Hz     ppm     Int.
    

       1750.91   5.836    330
       1747.14   5.824    335
       1307.83   4.359     42
       1304.03   4.347     43
       1301.24   4.337    125
       1297.43   4.325    125
       1294.64   4.315    129
       1290.83   4.303    125
       1288.08   4.294     46
       1284.27   4.281     43
        510.31   1.701   1000
        503.71   1.679    984
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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