392-85-8

2-氟三氟甲苯(392-85-8)紅外圖譜(IR)

產(chǎn)品名稱:2-氟三氟甲苯

CAS:392-85-8

分子式:C7H4F4

分子量: 164.1

InChI:InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey: BGVGHYOIWIALFF-UHFFFAOYSA-N

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

Mass

MS-KW-0411          
alpha,alpha,alpha,2-tetrafluorotoluene
C7H4F4              (Mass of molecular ion:    164)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       2.0
      37.0       1.1
      38.0       1.3
      39.0       1.4
      50.0       5.2
      51.0       3.1
      57.0       2.6
      61.0       1.0
      62.0       2.0
      63.0       3.2
      68.0       2.9
      69.0       7.6
      72.0       1.2
      72.5       2.9
      74.0       3.2
      75.0      13.2
      76.0       1.2
      81.0       1.0
      82.0       2.9
      88.0       2.5
      93.0       2.6
      94.0       3.0
      95.0       8.9
      99.0       2.0
     113.0       3.1
     114.0      45.1
     115.0       3.0
     119.0       1.0
     125.0       3.2
     143.0       3.0
     144.0       2.3
     145.0      69.4
     146.0       5.3
     163.0      28.9
     164.0     100.0
     165.0       7.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇H₄F₄	0.05 ml : 0.5 ml CDCl₃
alpha,alpha,alpha,2-tetrafluorotoluene

    Assign.     Shift(ppm)

     A           7.593
     B           7.529
     C           7.227
     D           7.174

     Hz     ppm     Int.

   3043.46   7.613    389
   3042.73   7.611    411
   3035.65   7.594    776
   3035.04   7.592    769
   3028.45   7.576    416
   3027.71   7.574    440
   3021.37   7.558    213
   3020.76   7.556    225
   3019.66   7.554    214
   3015.75   7.544    257
   3013.80   7.539    453
   3013.19   7.538    477
   3012.46   7.536    434
   3011.36   7.533    406
   3008.06   7.525    443
   3007.33   7.523    430
   3006.23   7.520    455
   3005.62   7.519    458
   3003.67   7.514    270
   3000.37   7.505    255
   2999.88   7.504    262
   2998.66   7.501    237
   2896.12   7.245    611
   2893.32   7.238    205
   2888.43   7.225   1000
   2880.74   7.206    512
   2876.96   7.197    592
   2867.44   7.173    653
   2858.04   7.149    504

in CDCl3