2357-47-3

4-氟-3-三氟甲基苯胺(2357-47-3)核磁圖(¹HNMR)

產品名稱:4-氟-3-三氟甲基苯胺

CAS:2357-47-3

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

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

¹H NMR	89.56 MHz
C₇ H₅ F₄ N	0.05 ml : 0.5 ml CDCl₃
4-fluoro-3-(trifluoromethyl)aniline

    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

¹H NMR	399.65 MHz
C₇ H₅ F₄ N	0.05 ml : 0.5 ml CDCl₃
4-fluoro-3-(trifluoromethyl)aniline

    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