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320-51-4

2-氯-5-氨基三氟甲苯(320-51-4)Raman光谱

分子式:C7H5ClF3N

分子量: 195.57

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

InChIKey: ASPDJZINBYYZRU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7104          
    4-chloro-3-(trifluoromethyl)aniline
    C7H5ClF3N           (Mass of molecular ion:    195)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       3.8
          31.0       1.2
          37.0       1.8
          38.0       2.1
          39.0       2.6
          41.0       3.8
          44.5       1.1
          45.5       1.1
          50.0       1.4
          51.0       1.1
          52.0       3.3
          57.0       1.3
          61.0       2.3
          62.0       3.9
          63.0       8.4
          64.0       2.5
          65.0       1.9
          69.0       2.1
          70.0       1.1
          70.5       1.7
          73.0       2.1
          74.0       1.5
          75.0       2.8
          80.0       8.3
          81.0       1.5
          83.0       2.4
          88.0       3.0
          89.0       1.8
          90.0       3.9
          91.0       2.1
          97.5       2.7
          99.0       5.0
         101.0       1.5
         110.0       1.1
         113.0       5.5
         114.0       1.8
         120.0       2.9
         125.0       1.2
         132.0       5.6
         133.0       3.7
         139.0       1.5
         140.0       7.7
         141.0       1.0
         143.0       1.1
         145.0       8.8
         147.0       3.6
         148.0      17.4
         149.0       1.6
         150.0       5.7
         159.0       1.1
         160.0      11.6
         161.0       1.1
         167.0       1.7
         174.0       2.5
         175.0       3.9
         176.0      13.9
         177.0       2.5
         178.0       4.5
         179.0       1.1
         194.0       2.7
         195.0     100.0
         196.0       9.1
         197.0      33.3
         198.0       2.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H5 Cl F3 N 0.042 g : 0.5 ml CDCl3
    4-chloro-3-(trifluoromethyl)aniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.221 B 6.950 C 6.718 D 3.83

         Hz     ppm     Int.
    

       2890.50   7.233    717
       2890.14   7.232    732
       2886.84   7.224     51
       2881.96   7.212    779
       2881.59   7.211    791
       2779.17   6.955    970
       2776.37   6.948   1000
       2770.26   6.932     22
       2690.92   6.734    493
       2690.31   6.732    499
       2688.11   6.727    469
       2687.50   6.725    461
       2682.37   6.712    459
       2681.76   6.711    468
       2679.57   6.705    429
       2678.96   6.704    423
       1531.74   3.833    283
    

in CDCl3

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KBr disc

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nujol mull

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