4,4'-二氟二苯甲酮(345-92-6)Raman光譜

產(chǎn)品名稱:4,4'-二氟二苯甲酮

CAS:345-92-6

分子式:C13H8F2O

分子量: 218.2

InChI:InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

InChIKey: LSQARZALBDFYQZ-UHFFFAOYSA-N

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

Mass

MS-NW-7266          
4,4'-difluorobenzophenone
C13H8F2O            (Mass of molecular ion:    218)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      39.0       1.0
      50.0       3.6
      51.0       2.5
      68.0       1.5
      69.0       3.1
      74.0       2.3
      75.0      14.9
      76.0       1.4
      85.0       1.0
      94.0       4.3
      95.0      47.7
      96.0       3.2
     123.0     100.0
     124.0       8.2
     188.0       1.7
     217.0       3.6
     218.0      32.4
     219.0       4.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₈ F₂ O	0.035 g : 0.5 ml CDCl₃
4,4'-difluorobenzophenone

    Assign.     Shift(ppm)

      A             7.819
      B             7.171

     Hz     ppm     Int.

   3136.84   7.849     33
   3134.77   7.844    100
   3131.96   7.837    669
   3129.76   7.832    255
   3126.46   7.823    691
   3125.12   7.820    322
   3124.39   7.818    313
   3122.92   7.815    738
   3119.75   7.807    264
   3117.55   7.801    708
   3114.75   7.794     91
   2877.32   7.200     99
   2874.51   7.193    702
   2872.31   7.188    233
   2868.77   7.179    138
   2867.68   7.176    273
   2865.97   7.172    986
   2865.48   7.170   1000
   2863.89   7.166    273
   2862.67   7.163    130
   2859.25   7.155    231
   2857.06   7.149    684
   2854.25   7.142     88

in CDCl3