2106-02-7

2-氯-4-氟苯胺(2106-02-7)核磁图(¹³CNMR)

产品名称:2-氯-4-氟苯胺

CAS:2106-02-7

分子式:C6H5ClFN

分子量: 145.56

InChI:InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

InChIKey: XRAKCYJTJGTSMM-UHFFFAOYSA-N

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

Mass

MS-NW-9679          
2-chloro-4-fluoroaniline
C6H5ClFN            (Mass of molecular ion:    145)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.5
      31.0       1.2
      52.0       2.1
      54.5       3.7
      56.0       1.1
      57.0       4.2
      61.0       1.1
      62.0       1.9
      63.0       3.8
      72.5       5.2
      73.5       1.6
      81.0       3.4
      82.0      13.8
      83.0      18.0
      84.0       1.9
      89.0       2.7
      90.0       3.7
      91.0       1.2
     108.0       2.4
     109.0      10.9
     110.0      10.8
     117.0       5.9
     118.0       5.3
     119.0       2.3
     120.0       1.7
     144.0       2.2
     145.0     100.0
     146.0       7.7
     147.0      32.4
     148.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ Cl F N	0.05 ml : 0.5 ml CDCl₃
2-chloro-4-fluoroaniline

    Assign.     Shift(ppm)

      A             6.991
      B             6.781
      C             6.647
      D             3.9

     Hz     ppm     Int.

   2799.80   7.006    900
   2799.44   7.005    794
   2796.88   6.999    912
   2794.19   6.992     97
   2793.82   6.991    101
   2791.38   6.985    838
   2788.57   6.978    946
   2785.89   6.971     65
   2785.52   6.970     66
   2783.08   6.964     37
   2722.90   6.814     37
   2720.70   6.808    543
   2717.77   6.801    559
   2716.19   6.797     73
   2712.65   6.788    675
   2711.79   6.786    843
   2709.72   6.781    653
   2708.98   6.779    751
   2706.05   6.772     81
   2703.74   6.766    789
   2700.93   6.759    722
   2698.12   6.752     43
   2663.33   6.665    958
   2658.08   6.652   1000
   2654.42   6.642    763
   2652.10   6.637     82
   2651.73   6.636     84
   2649.29   6.630    723
   2648.93   6.629    668
   2642.82   6.613     31
   1547.61   3.873    198

in CDCl3