100-82-3

3-氟芐胺(100-82-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-氟芐胺

CAS:100-82-3

分子式:C7H8FN

分子量: 125.14

InChI:InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2

InChIKey: QVSVMNXRLWSNGS-UHFFFAOYSA-N

Smiles:C1(CN)=CC=CC(F)=C1

Mass

MS2006-02985WA      
3-fluorobenzylamine
C7H8FN              (Mass of molecular ion:    125)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      28.0      13.7
      29.0       6.1
      30.0      27.1
      31.0       1.1
      38.0       1.2
      39.0       2.8
      50.0       5.2
      51.0       5.8
      52.0       1.7
      52.5       1.6
      57.0       3.9
      61.0       1.2
      62.0       3.0
      63.0       3.0
      68.0       1.8
      69.0       2.9
      70.0       3.2
      74.0       3.1
      75.0       9.2
      76.0       1.9
      77.0       8.7
      78.0       3.1
      79.0       1.1
      81.0       1.9
      83.0       6.2
      89.0       1.1
      94.0       2.1
      95.0      10.3
      96.0      11.0
      97.0      26.5
      98.0       2.3
     104.0       7.3
     105.0      42.3
     106.0       6.0
     107.0       5.1
     108.0       2.1
     109.0      17.5
     110.0       2.4
     121.0       1.9
     122.0       6.3
     123.0       1.2
     124.0     100.0
     125.0      36.2
     126.0       2.7
     231.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₈ F N	0.05 ml : 0.5 ml CDCl₃
3-fluorobenzylamine

    Assign.     Shift(ppm)

      A             7.251
      B             7.046
      C             7.004
      D             6.900
      E             3.812
      F             1.72

     Hz     ppm     Int.

   2908.57   7.278    132
   2902.71   7.264    152
   2900.76   7.259    228
   2894.78   7.244    235
   2892.82   7.239    185
   2886.84   7.224    169
   2819.70   7.056    269
   2819.09   7.054    281
   2818.24   7.052    232
   2812.13   7.037    225
   2811.52   7.035    242
   2810.67   7.033    206
   2805.42   7.020    153
   2803.22   7.015    184
   2795.53   6.995    136
   2793.95   6.991    167
   2793.33   6.990    174
   2791.75   6.986    133
   2766.97   6.924    112
   2766.48   6.923    116
   2766.11   6.922    113
   2764.40   6.918    113
   2763.92   6.916    115
   2761.23   6.910     40
   2758.30   6.902    192
   2757.81   6.901    193
   2755.74   6.896    174
   2755.25   6.895    170
   2750.12   6.882     95
   2749.63   6.881     97
   2749.15   6.879     95
   2747.44   6.875     88
   2746.95   6.874     87
   1523.56   3.813   1000
    689.21   1.725    268

in CDCl3