367-34-0

2,4,5-三氟苯胺(367-34-0)核磁图(¹³CNMR)

产品名称:2,4,5-三氟苯胺

CAS:367-34-0

分子式:C6H4F3N

分子量: 147.1

InChI:InChI=1S/C6H4F3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

InChIKey: QMYVWJVVVMIBMM-UHFFFAOYSA-N

Smiles:C1(N)=CC(F)=C(F)C=C1F

Mass

MS-IW-9723          
2,4,5-trifluoroaniline
C6H4F3N             (Mass of molecular ion:    147)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       6.3
      31.0       5.4
      46.0       1.0
      50.0       3.9
      51.0       5.3
      52.0       2.6
      56.0       2.3
      57.0       2.3
      61.0       1.3
      63.5       1.1
      68.0       1.4
      69.0       4.6
      70.0       7.5
      73.5       7.5
      74.0       1.6
      75.0       6.4
      76.0       3.8
      77.0       1.7
      80.0       1.9
      81.0       4.0
      82.0       1.2
      93.0       1.2
      94.0       1.5
      96.0       1.4
      99.0       7.1
     100.0      25.3
     101.0       7.8
     103.0       1.0
     107.0       2.7
     108.0       1.0
     116.0       2.8
     118.0       1.0
     119.0      25.1
     120.0      22.3
     121.0       1.3
     126.0       4.4
     127.0      11.5
     128.0       1.7
     130.0       1.4
     146.0       5.1
     147.0     100.0
     148.0       7.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₃ N	0.041 g : 0.5 ml CDCl₃
2,4,5-trifluoroaniline

    Assign.     Shift(ppm)

      A             6.867
      B             6.583
      C             3.66

     Hz     ppm     Int.

   2758.54   6.903    550
   2751.34   6.885    595
   2748.17   6.877    996
   2744.38   6.867     89
   2740.97   6.859   1000
   2738.04   6.852    574
   2730.83   6.834    545
   2644.65   6.618    557
   2636.60   6.598    987
   2633.42   6.590    582
   2628.66   6.578    598
   2625.24   6.569    980
   2617.31   6.550    552
   1461.91   3.658    463

in CDCl3