394-32-1

5-氟-2-羟基苯乙酮(394-32-1)红外图谱(IR1)

产品名称:5-氟-2-羟基苯乙酮

CAS:394-32-1

分子式:C8H7FO2

分子量: 154.14

InChI:InChI=1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

InChIKey: KOFFXZYMDLWRHX-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC(F)=CC=C1O)C

Mass

MS-NW-9900          
5'-fluoro-2'-hydroxyacetophenone
C8H7FO2             (Mass of molecular ion:    154)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.1
      28.0       1.1
      31.0       1.3
      39.0       1.5
      43.0      17.4
      50.0       1.3
      51.0       1.8
      53.0       1.4
      56.0       1.0
      57.0       9.1
      62.0       1.2
      63.0       3.8
      69.5       1.6
      77.0       1.9
      81.0       2.6
      82.0       2.9
      83.0      20.0
      84.0       2.1
      95.0       1.0
      97.0       1.0
     107.0       1.5
     108.0       2.0
     110.0       1.4
     111.0      25.6
     112.0       3.8
     136.0       1.6
     139.0     100.0
     140.0       7.7
     154.0      62.4
     155.0       5.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ F O₂	0.037 g : 0.5 ml CDCl₃
5'-fluoro-2'-hydroxyacetophenone

    Assign.     Shift(ppm)

      A            12.0
      B             7.393
      C             7.215
      D             6.948
      E             2.614

     Hz     ppm     Int.

   4787.24  11.979    316
   2960.70   7.409     71
   2957.77   7.401     76
   2951.91   7.387     72
   2948.98   7.379     77
   2894.21   7.242     37
   2893.85   7.241     39
   2891.10   7.235     37
   2890.73   7.234     37
   2886.34   7.223     46
   2885.97   7.222     47
   2885.06   7.219     50
   2884.69   7.219     50
   2883.22   7.215     42
   2882.86   7.214     42
   2881.94   7.212     48
   2881.58   7.211     47
   2877.18   7.200     50
   2876.81   7.199     51
   2874.07   7.192     44
   2873.70   7.191     44
   2782.48   6.963     85
   2782.12   6.962     83
   2777.90   6.951     84
   2777.54   6.950     79
   2773.32   6.940     73
   2772.96   6.939     71
   2768.74   6.928     69
   1047.53   2.622     31
   1044.78   2.615   1000

in CDCl3