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121-50-6

3-氨基-4-氯三氟甲苯(121-50-6)红外图谱(IR1)

分子式:C7H5ClF3N

分子量: 195.57

InChI:InChI=1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2

InChIKey: VKTTYIXIDXWHKW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8897          
    6-chloro-alpha,alpha,alpha-trifluoro-m-toluidine
    C7H5ClF3N           (Mass of molecular ion:    195)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.6
          38.0       1.5
          39.0       1.5
          41.0       1.1
          52.0       2.7
          57.0       1.1
          61.0       1.0
          62.0       2.2
          63.0       6.0
          64.0       1.8
          65.0       1.5
          69.0       1.1
          70.5       1.1
          73.0       1.3
          75.0       2.1
          80.0       7.2
          83.0       1.3
          88.0       2.4
          89.0       1.3
          90.0       3.4
          91.0       1.2
          97.5       1.9
          99.0       2.0
         109.0       1.3
         113.0       4.7
         114.0       1.5
         120.0       2.4
         132.0       6.1
         133.0       2.7
         139.0       1.5
         140.0       9.2
         141.0       1.1
         145.0       7.1
         147.0       3.0
         148.0      10.5
         149.0       1.0
         150.0       3.3
         158.0       1.4
         159.0       1.3
         160.0      13.2
         161.0       2.7
         167.0       1.3
         174.0       1.5
         175.0       3.8
         176.0      13.2
         177.0       2.3
         178.0       4.2
         194.0       2.3
         195.0     100.0
         196.0       8.9
         197.0      32.5
         198.0       2.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H5 Cl F3 N 0.04 ml : 0.5 ml CDCl3
    6-chloro-alpha,alpha,alpha-trifluoro-m-toluidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.32 B 6.956 C 6.93 D 4.21

         Hz     ppm     Int.
    

        659.81   7.368    217
        659.00   7.359    159
        651.88   7.279    322
        651.13   7.271    254
        625.81   6.988    112
        625.13   6.981    229
        624.44   6.973    353
        623.75   6.965    670
        623.13   6.958   1000
        622.44   6.950    787
        621.06   6.935    151
        620.38   6.927    119
        615.88   6.877     83
        615.25   6.870    201
        614.56   6.862    207
        613.88   6.855    128
        613.13   6.847    143
        612.44   6.839    136
        611.75   6.831     60
        377.25   4.213    104
    

in CDCl3

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liquid film

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