間氟苯乙酮(455-36-7)紅外圖譜(IR1)

產(chǎn)品名稱:間氟苯乙酮

CAS:455-36-7

分子式:C8H7FO

分子量: 138.14

InChI:InChI=1S/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

InChIKey: HCEKGPAHZCYRBZ-UHFFFAOYSA-N

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

Mass

MS-NW-6463          
3'-fluoroacetophenone
C8H7FO              (Mass of molecular ion:    138)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.7
      31.0       1.0
      37.0       1.0
      38.0       1.2
      39.0       2.0
      42.0       1.4
      43.0      26.3
      50.0       5.2
      51.0       3.5
      57.0       2.3
      61.0       1.0
      61.5       1.2
      62.0       1.4
      63.0       1.9
      68.0       2.1
      69.0       4.1
      70.0       1.1
      74.0       3.1
      75.0      15.1
      76.0       1.7
      83.0       1.6
      94.0       2.6
      95.0      61.9
      96.0       7.2
     109.0       1.9
     123.0     100.0
     124.0       8.1
     138.0      29.6
     139.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ F O	ca 1 mg : 0.5 ml CDCl₃
3'-fluoroacetophenone

    Assign.     Shift(ppm)

      A             7.739
      B             7.630
      C             7.448
      D             7.264
      E             2.599
     
     J(F-19,D)=11.0HZ
     J(F-19,B)=9.2HZ

     Hz     ppm     Int.

   3097.90   7.752     60
   3096.92   7.750     78
   3096.44   7.748     74
   3095.46   7.746     65
   3090.21   7.733     68
   3089.11   7.730     89
   3088.62   7.729     84
   3087.65   7.726     73
   3056.03   7.647     54
   3054.44   7.643     57
   3053.34   7.641     62
   3051.76   7.637     53
   3046.51   7.623     54
   3044.92   7.619     57
   3044.56   7.619     54
   3043.95   7.617     60
   3042.36   7.613     52
   2987.43   7.476     47
   2981.81   7.462     49
   2979.25   7.455     80
   2973.63   7.441     79
   2971.44   7.436     54
   2965.94   7.422     48
   2912.23   7.287     39
   2911.25   7.285     41
   2909.67   7.281     39
   2908.69   7.279     38
   2904.05   7.267     70
   2903.08   7.265     70
   2901.37   7.260     69
   2900.39   7.258     66
   2895.75   7.246     34
   2894.78   7.244     34
   2893.07   7.240     31
   2892.09   7.237     30
   1038.82   2.600   1000

in CDCl3