457-68-1

4,4'-二氟二苯甲烷(457-68-1)红外图谱(IR2)

产品名称:4,4'-二氟二苯甲烷

CAS:457-68-1

分子式:C13H10F2

分子量: 204.22

InChI:InChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2

InChIKey: DXQVFHQUHOFROC-UHFFFAOYSA-N

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

Mass

MS-NW-9456          
bis(p-fluorophenyl)methane
C13H10F2            (Mass of molecular ion:    204)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       1.2
      51.0       1.0
      57.0       3.7
      63.0       2.0
      75.0       1.7
      81.0       2.8
      82.0       2.3
      83.0       7.7
      89.0       1.6
      91.0       3.6
      91.5       2.5
      92.0       3.2
     100.5       2.4
     101.0       2.3
     102.0       2.6
     107.0       6.9
     108.0       9.3
     109.0      28.2
     110.0       2.2
     133.0       1.6
     151.0       1.3
     157.0       1.3
     164.0       1.0
     165.0       1.1
     170.0       2.5
     171.0       1.8
     177.0       1.1
     181.0       2.4
     182.0       1.3
     183.0      25.5
     184.0       9.4
     185.0       4.4
     188.0       2.6
     189.0       3.5
     199.0       1.3
     200.0       1.3
     201.0      22.0
     202.0       6.3
     203.0      75.2
     204.0     100.0
     205.0      13.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₀ F₂	0.05 ml : 0.5 ml CDCl₃
bis(p-fluorophenyl)methane

    Assign.     Shift(ppm)

      A             7.069
      B             6.931
      C             3.863
     
     J(F-19,A)=5.2HZ
     J(F-19,B)=9.2HZ

     Hz     ppm     Int.

   2836.06   7.097     40
   2833.13   7.090    342
   2830.93   7.084    154
   2827.64   7.076    378
   2824.22   7.067    524
   2821.17   7.060    197
   2818.85   7.054    517
   2815.92   7.046     77
   2781.37   6.960     73
   2778.32   6.952    595
   2776.25   6.947    187
   2771.85   6.936    179
   2769.53   6.930   1000
   2767.46   6.925    237
   2763.06   6.914    169
   2760.86   6.909    491
   2758.06   6.902     65
   1543.82   3.863    633

in CDCl3