452-76-6

2,4-二氟甲苯(452-76-6)質譜(MS)

產(chǎn)品名稱:2,4-二氟甲苯

CAS:452-76-6

分子式:C7H6F2

分子量: 128.12

InChI:InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

InChIKey: MPXDAIBTYWGBSL-UHFFFAOYSA-N

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

Mass

MS-IW-7550          
2,4-difluorotoluene
C7H6F2              (Mass of molecular ion:    128)

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

      31.0       1.1
      44.0       1.3
      50.0       1.4
      51.0       2.3
      54.0       1.7
      57.0       3.2
      63.0       1.9
      63.5       1.1
      64.0       1.6
      75.0       2.9
      77.0       2.5
      81.0       2.2
      83.0       1.2
     101.0       7.5
     107.0       4.2
     109.0       3.6
     125.0       3.5
     126.0       2.6
     127.0     100.0
     128.0      51.4
     129.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ F₂	0.05 ml : 0.5 ml CDCl₃
2,4-difluorotoluene

    Assign.     Shift(ppm)

      A             7.081
      B          6.75 to 6.710
      C             2.203
     
     J(A,F-19)=9.5HZ.

     Hz     ppm     Int.

   2843.14   7.115     55
   2842.53   7.113     80
   2841.80   7.111     72
   2839.72   7.106     35
   2839.11   7.104     36
   2836.55   7.098     82
   2836.06   7.097     96
   2835.69   7.096     95
   2835.21   7.095     91
   2834.47   7.093     89
   2833.74   7.091    148
   2833.01   7.089    170
   2832.52   7.088    135
   2830.69   7.083     39
   2829.83   7.081     37
   2827.27   7.075    147
   2826.54   7.073    168
   2826.05   7.072    152
   2825.07   7.069    117
   2824.22   7.067     89
   2818.97   7.054     79
   2818.48   7.053     88
   2817.75   7.051     77
   2702.03   6.761     98
   2698.73   6.753    265
   2695.92   6.746    132
   2693.73   6.741    150
   2691.16   6.734    281
   2689.58   6.730    248
   2689.09   6.729    252
   2688.60   6.728    226
   2687.38   6.725    161
   2687.01   6.724    162
   2686.40   6.722    138
   2685.91   6.721    149
   2683.72   6.716    140
   2683.23   6.714    136
   2681.40   6.710     66
   2679.57   6.705    170
   2677.00   6.699     95
    892.58   2.234     34
    892.21   2.233     34
    891.36   2.231     40
    890.87   2.230     41
    890.50   2.229     43
    889.28   2.226     49
    888.92   2.225     50
    881.10   2.205    998
    880.74   2.204    957
    880.25   2.203    940
    879.88   2.202   1000
    879.03   2.200    821
    878.17   2.198    630
    877.81   2.197    559

in CDCl3