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2357-47-3

4-氟-3-三氟甲基苯胺(2357-47-3)Raman光谱

分子式:C7H5F4N

分子量: 179.11

InChI:InChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

InChIKey: PGFQDLOMDIBAPY-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6053          
    4-fluoro-3-(trifluoromethyl)aniline
    C7H5F4N             (Mass of molecular ion:    179)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       3.4
          31.0       2.5
          38.0       1.1
          39.0       1.3
          41.0       1.6
          50.0       1.1
          51.0       1.3
          52.0       2.1
          56.0       1.9
          57.0       4.8
          61.0       1.4
          62.0       2.0
          63.0       4.6
          64.0       1.1
          64.5       1.1
          65.0       1.0
          69.0       2.7
          75.0       2.8
          79.5       1.0
          80.0       2.6
          81.0       4.5
          82.0       2.7
          83.0      10.0
          84.0       1.2
          88.0       1.5
          89.0       1.0
          89.5       2.9
          90.0       1.7
          93.0       1.0
          94.0       1.0
         101.0       6.3
         102.0       2.0
         108.0       1.4
         109.0       3.6
         110.0       1.7
         113.0       2.4
         120.0       1.2
         129.0      12.9
         130.0       1.1
         131.0       1.4
         132.0      27.2
         133.0       3.4
         138.0       1.4
         139.0       1.2
         140.0       3.2
         143.0       1.0
         151.0       5.2
         152.0       2.1
         158.0       5.9
         159.0       3.8
         160.0      24.8
         161.0       2.3
         163.0       2.3
         178.0       6.1
         179.0     100.0
         180.0       8.4
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H5 F4 N 0.05 ml : 0.5 ml CDCl3
    4-fluoro-3-(trifluoromethyl)aniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.93 B 6.80 C 6.73 D 3.65

         Hz     ppm     Int.
    

        631.56   7.052    117
        623.00   6.957    311
        612.56   6.840    491
        610.06   6.812    367
        609.56   6.807    380
        606.44   6.772    489
        605.75   6.764    481
        602.25   6.725    163
        601.63   6.718    164
        598.69   6.685    111
        598.06   6.678    118
        597.31   6.670    122
        594.44   6.638     74
        327.19   3.654   1000
    

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    1H NMR 399.65 MHz
    C7 H5 F4 N 0.05 ml : 0.5 ml CDCl3
    4-fluoro-3-(trifluoromethyl)aniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.941 B 6.818 C 6.742 D 3.72 90MHZ : HSP-05-161

         Hz     ppm     Int.
    

       2783.69   6.966    601
       2774.41   6.943   1000
       2769.17   6.929     89
       2764.77   6.918    720
       2740.36   6.857     31
       2729.13   6.829    747
       2726.20   6.822    894
       2723.39   6.815    769
       2720.46   6.808    860
       2713.62   6.790     40
       2713.13   6.789     40
       2710.21   6.782     39
       2709.96   6.781     39
       2709.47   6.780     39
       2709.23   6.780     39
       2702.03   6.761    467
       2701.42   6.760    524
       2698.00   6.751    717
       2697.39   6.750    670
       2695.07   6.744    449
       2694.46   6.743    481
       2693.85   6.741    430
       2693.24   6.739    485
       2692.63   6.738    475
       2689.21   6.729    584
       2688.60   6.728    543
       2687.01   6.724    227
       2686.28   6.722    333
       2685.67   6.721    351
       1486.82   3.721    632
    

in CDCl3

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liquid film

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