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102-47-6

3,4-二氯氯苄(102-47-6)Raman光谱

产品名称:3,4-二氯氯苄

CAS:102-47-6

分子式:C7H5Cl3

分子量: 195.47

InChI:InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2

InChIKey: YZIFVWOCPGPNHB-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C(CCl)C=C1Cl

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    Mass

    MS-NW-4681          
    alpha,3,4-trichlorotoluene
    C7H5Cl3             (Mass of molecular ion:    194)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          36.0       2.2
          37.0       1.4
          38.0       1.4
          39.0       3.5
          43.0       2.4
          44.0       1.8
          49.0       1.2
          50.0       3.0
          51.0       1.6
          61.0       6.4
          61.5       2.1
          62.0       6.1
          63.0       8.1
          72.0       1.0
          73.0       5.3
          74.0       1.4
          75.0       2.2
          79.0       3.1
          79.5       1.2
          80.0       1.9
          84.0       1.0
          85.0       1.4
          86.0       1.8
          87.0       2.5
          89.0      11.0
          97.0       3.0
          99.0       2.9
         109.0       1.0
         123.0      11.7
         124.0       5.2
         125.0       4.7
         126.0       1.8
         133.0       3.1
         135.0       1.9
         159.0     100.0
         160.0       8.4
         161.0      64.2
         162.0       5.3
         163.0      10.5
         193.0       1.7
         194.0      18.7
         195.0       3.0
         196.0      18.0
         197.0       1.9
         198.0       5.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H5 Cl3 0.02 ml : 0.5 ml CDCl3
    alpha,3,4-trichlorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.505 B 7.221 C 7.42 D 7.48

         Hz     ppm     Int.
    

        670.94   7.492    215
        670.44   7.486    220
        668.94   7.470    337
        668.44   7.464    278
        661.25   7.384    406
        649.94   7.258    230
        649.38   7.251    167
        647.94   7.235    191
        641.69   7.165     94
        639.63   7.142     91
        403.50   4.506   1000
        401.19   4.480     48
    

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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