3',4'-二氟苯乙酮(369-33-5)質(zhì)譜(MS)

產(chǎn)品名稱:3',4'-二氟苯乙酮

CAS:369-33-5

分子式:C8H6F2O

分子量: 156.13

InChI:InChI=1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3

InChIKey: VWJSSJFLXRMYNV-UHFFFAOYSA-N

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

Mass

MS-NW-9444          
3',4'-difluoroacetophenone
C8H6F2O             (Mass of molecular ion:    156)

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

      15.0       1.9
      31.0       1.1
      42.0       1.0
      43.0      15.7
      50.0       1.9
      51.0       1.0
      57.0       1.8
      61.0       1.3
      62.0       3.1
      63.0      14.7
      68.0       1.7
      69.0       1.1
      70.5       1.3
      74.0       1.8
      75.0       2.1
      81.0       1.5
      87.0       1.0
      93.0       2.3
      94.0       1.2
     101.0       1.1
     112.0       1.7
     113.0      57.4
     114.0       5.5
     127.0       1.7
     141.0     100.0
     142.0       7.7
     156.0      34.1
     157.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₆ F₂ O	0.05 ml : 0.5 ml CDCl₃
3',4'-difluoroacetophenone

    Assign.     Shift(ppm)

      A          7.78 to 7.76
      B             7.264
      C             2.600

     Hz     ppm     Int.

   3119.26   7.805     58
   3117.19   7.800     74
   3111.57   7.786     56
   3109.62   7.781     80
   3107.67   7.776    200
   3106.32   7.773     73
   3105.47   7.771     54
   3102.91   7.765     86
   3100.59   7.759    115
   3098.63   7.754    109
   3096.92   7.750     56
   3095.83   7.747     74
   3094.73   7.744     63
   3093.75   7.742     39
   3092.53   7.739     46
   2916.02   7.297     66
   2909.30   7.280     31
   2908.57   7.278     54
   2907.35   7.275     81
   2906.13   7.272     74
   2899.66   7.256     54
   2898.93   7.254     89
   2897.58   7.251     70
   2889.77   7.231     61
   1039.31   2.601   1000

in CDCl3