396-64-5

3,3'-二氟联苯(396-64-5)红外图谱(IR1)

产品名称:3,3'-二氟联苯

CAS:396-64-5

分子式:C12H8F2

分子量: 190.19

InChI:InChI=1S/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

InChIKey: GAYJHUJLHJWCTH-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC(F)=C2)=CC=CC(F)=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5093          
3,3'-difluorobiphenyl
C12H8F2             (Mass of molecular ion:    190)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      50.0       1.1
      57.0       1.5
      63.0       1.0
      69.0       1.3
      70.0       1.2
      72.0       1.2
      74.0       1.8
      75.0       2.9
      81.0       1.7
      82.0       4.7
      84.0       1.0
      84.5       1.1
      85.0       5.6
      94.0       8.1
      94.5       1.2
      95.0       6.7
      96.0       1.4
     120.0       1.7
     133.0       1.4
     144.0       1.5
     151.0       2.1
     157.0       1.4
     164.0       3.5
     168.0       2.8
     169.0       5.4
     170.0       7.2
     171.0       3.2
     187.0       2.3
     188.0      20.2
     189.0      24.6
     190.0     100.0
     191.0      12.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₈ F₂	0.05 ml : 0.5 ml CDCl₃
3,3'-difluorobiphenyl

    Assign.     Shift(ppm)

      A             7.342
      B             7.290
      C             7.215
      D             7.019
     
     J(A,B)=J(A,D)=7.9HZ
     J(A,F-19)=5.9HZ
     J(B,C)=1.6HZ
     J(B,D)=1.3HZ
     J(C,F-19)=10.1HZ
     J(C,D)=2.4HZ
     J(D,F-19)=8.4HZ

     Hz     ppm     Int.

   2951.17   7.385     32
   2946.53   7.373    312
   2942.87   7.364     53
   2940.67   7.359    314
   2938.60   7.353    708
   2932.86   7.339    720
   2930.66   7.334    606
   2924.93   7.319    600
   2917.97   7.302    717
   2916.38   7.298   1000
   2915.04   7.294    753
   2910.16   7.282    395
   2908.57   7.278    564
   2907.35   7.275    387
   2903.93   7.267     69
   2901.61   7.261     51
   2898.93   7.254     36
   2896.24   7.247     36
   2890.75   7.234    476
   2888.31   7.228    530
   2886.60   7.223    433
   2883.54   7.216     48
   2880.62   7.208    447
   2878.17   7.202    510
   2876.46   7.198    433
   2815.19   7.045    344
   2813.96   7.042    344
   2812.50   7.038    326
   2811.40   7.035    320
   2806.76   7.024    472
   2805.91   7.021    428
   2805.42   7.020    438
   2804.32   7.017    466
   2803.22   7.015    410
   2802.86   7.014    398
   2798.71   7.003    313
   2797.36   7.000    317
   2796.02   6.997    305
   2794.80   6.994    295
   2792.11   6.987     38

in CDCl3