352-70-5

3-氟甲苯(352-70-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-氟甲苯

CAS:352-70-5

分子式:C7H7F

分子量: 110.13

InChI:InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChIKey: BTQZKHUEUDPRST-UHFFFAOYSA-N

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

Mass

MS-NW-3165          
m-fluorotoluene
C7H7F               (Mass of molecular ion:    110)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      31.0       1.0
      38.0       1.2
      39.0       3.9
      44.0       1.0
      45.0       1.0
      50.0       2.2
      51.0       2.7
      54.5       1.0
      55.0       1.4
      57.0       5.4
      59.0       1.2
      61.0       1.1
      62.0       1.9
      63.0       4.2
      75.0       1.7
      81.0       2.3
      83.0      11.6
      84.0       1.2
      89.0       1.9
      91.0       1.7
     107.0       3.9
     108.0       2.1
     109.0     100.0
     110.0      66.0
     111.0       4.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₇ F	0.05 ml : 0.5 ml CDCl₃
m-fluorotoluene

    Assign.     Shift(ppm)

      A             7.155
      B             6.895
      C             6.84
      D             6.82
      E             2.299

     Hz     ppm     Int.

   2871.09   7.185     80
   2863.16   7.165    163
   2857.42   7.150    139
   2856.69   7.148    152
   2849.61   7.131     74
   2849.00   7.129     81
   2760.86   6.909    178
   2760.13   6.907    200
   2759.52   6.905    181
   2753.30   6.890    152
   2752.56   6.888    175
   2751.71   6.886    159
   2750.98   6.884    111
   2739.38   6.855     63
   2738.65   6.853     90
   2737.92   6.851    103
   2736.82   6.849    155
   2736.08   6.847    189
   2735.35   6.845    208
   2734.50   6.843    227
   2733.89   6.841    189
   2731.81   6.836     54
   2731.32   6.835     51
   2730.83   6.834     45
   2728.76   6.828     84
   2726.93   6.824    224
   2726.07   6.822    301
   2725.46   6.820    322
   2724.85   6.819    273
   2718.14   6.802     69
   2717.65   6.801     84
   2717.16   6.799     85
   2716.67   6.798     72
   2715.58   6.795     52
   2715.09   6.794     56
   2714.60   6.793     55
   2713.99   6.791     45
    919.31   2.301   1000
    918.70   2.299    986

in CDCl3