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328-84-7

3,4-二氯三氟甲苯(328-84-7)核磁图(1HNMR)

产品名称:3,4-二氯三氟甲苯

CAS:328-84-7

分子式:C7H3Cl2F3

分子量: 215

InChI:InChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChIKey: XILPLWOGHPSJBK-UHFFFAOYSA-N

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

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    Mass

    MS-IW-6259          
    3,4-dichloro-alpha,alpha,alpha-trifluorotoluene
    C7H3Cl2F3           (Mass of molecular ion:    214)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          37.0       1.3
          49.0       1.0
          50.0       3.5
          62.0       1.9
          69.0       3.6
          73.0       2.3
          74.0       6.9
          75.0       7.7
          79.0       1.0
          80.0       1.5
          84.0       2.1
          85.0       1.7
          89.0       2.4
          89.5       1.5
          93.0       1.8
          94.0       1.1
          97.0       3.0
          97.5       1.8
          98.0       2.1
          98.5       1.2
          99.0       1.9
         107.0       1.6
         108.0       1.6
         109.0       5.2
         110.0       1.2
         111.0       1.8
         125.0       3.1
         129.0       2.8
         143.0       4.2
         144.0       4.6
         145.0       1.9
         147.0       1.0
         159.0       2.5
         160.0       1.7
         161.0       1.0
         164.0      13.8
         165.0       1.0
         166.0       8.9
         168.0       1.4
         179.0      33.5
         180.0       3.0
         181.0      10.9
         195.0      21.1
         196.0       1.8
         197.0      13.6
         198.0       1.1
         199.0       2.2
         213.0       2.5
         214.0     100.0
         215.0       9.3
         216.0      63.6
         217.0       5.1
         218.0      10.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H3 Cl2 F3 0.05 ml : 0.5 ml CDCl3
    3,4-dichloro-alpha,alpha,alpha-trifluorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.698 B 7.547 C 7.442

         Hz     ppm     Int.
    

       3077.76   7.702    915
       3077.39   7.701    919
       3075.93   7.697   1000
       3025.63   7.571     49
       3025.15   7.570     50
       3021.61   7.561    625
       3021.12   7.560    664
       3013.18   7.540    895
       3012.70   7.539    966
       2979.61   7.456    615
       2979.00   7.455    687
       2978.27   7.453    551
       2977.54   7.451    682
       2976.93   7.449    675
       2973.39   7.440     68
       2971.31   7.435    438
       2970.58   7.433    494
       2969.85   7.432    393
       2969.12   7.430    484
       2968.51   7.428    492
       2966.31   7.423    102
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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