443-84-5

2,6-二氟甲苯(443-84-5)核磁图(¹³CNMR)

产品名称:2,6-二氟甲苯

CAS:443-84-5

分子式:C7H6F2

分子量: 128.12

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

InChIKey: MZLSNIREOQCDED-UHFFFAOYSA-N

Smiles:C1(F)=CC=CC(F)=C1C

Mass

MS-IW-7540          
2,6-difluorotoluene
C7H6F2              (Mass of molecular ion:    128)

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

      31.0       1.2
      39.0       1.2
      44.0       1.4
      50.0       1.5
      51.0       2.5
      54.0       1.6
      57.0       4.0
      62.0       1.2
      63.0       2.1
      63.5       1.7
      64.0       1.7
      75.0       2.7
      77.0       3.0
      81.0       2.6
      83.0       1.4
     101.0       7.3
     107.0       5.6
     108.0       2.2
     109.0       4.8
     125.0       3.4
     126.0       2.4
     127.0     100.0
     128.0      49.5
     129.0       3.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ F₂	0.05 ml : 0.5 ml CDCl₃
2,6-difluorotoluene

    Assign.     Shift(ppm)

      A             7.073
      B             6.803
      C             2.172

     Hz     ppm     Int.

   2842.77   7.114     40
   2842.16   7.112     40
   2836.30   7.097     81
   2835.69   7.096     88
   2834.84   7.094     80
   2834.11   7.092     90
   2833.62   7.091     70
   2829.83   7.081     55
   2827.76   7.076    159
   2825.56   7.071     65
   2821.78   7.061     70
   2821.17   7.060     93
   2820.56   7.058     88
   2819.58   7.056    110
   2818.97   7.054    102
   2813.11   7.039     51
   2812.50   7.038     50
   2732.79   6.838     36
   2732.42   6.838     36
   2726.81   6.823    236
   2725.95   6.821    217
   2718.99   6.804    332
   2711.30   6.785    219
   2710.94   6.784    223
    870.24   2.178    551
    868.41   2.173   1000
    867.07   2.170    675
    866.58   2.169    675

in CDCl3