2'-Fluoroacetophenone(445-27-2) IR1

Product Name2'-Fluoroacetophenone

CAS 445-27-2

Molecular FormulaC8H7FO

Molecular Weight138.14

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

InChIKey QMATYTFXDIWACW-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=CC=C1F)C

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Mass

MS-IW-1265          
2'-fluoroacetophenone
C8H7FO              (Mass of molecular ion:    138)

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

      39.0       1.0
      43.0      10.3
      50.0       2.8
      51.0       1.9
      57.0       1.3
      61.5       1.3
      62.0       1.0
      63.0       1.1
      68.0       1.5
      69.0       2.4
      74.0       2.1
      75.0      10.5
      76.0       1.0
      83.0       1.0
      94.0       1.9
      95.0      33.4
      96.0       4.8
     109.0       1.0
     123.0     100.0
     124.0       7.8
     138.0      24.3
     139.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ F O	0.05 ml : 0.5 ml CDCl₃
2'-fluoroacetophenone

    Assign.     Shift(ppm)

      A             7.858
      B             7.503
      C             7.203
      D             7.115
      E             2.621

     Hz     ppm     Int.

   3149.17   7.880     92
   3147.71   7.877     89
   3147.34   7.876     98
   3141.72   7.862    175
   3139.77   7.857    185
   3133.91   7.842    102
   3132.32   7.838    101
   3131.96   7.837    107
   3010.50   7.533     58
   3008.54   7.528     63
   3005.37   7.521     62
   3003.54   7.516     84
   3003.17   7.515     99
   3002.20   7.513     88
   3001.22   7.510     91
   3000.24   7.508     84
   2998.05   7.502     78
   2997.07   7.500     88
   2996.22   7.498     95
   2995.24   7.495    102
   2994.87   7.494    112
   2992.92   7.489     82
   2989.75   7.481     75
   2987.92   7.477     78
   2886.84   7.224    140
   2885.74   7.221    160
   2879.52   7.206    159
   2879.03   7.204    197
   2878.42   7.203    214
   2877.93   7.202    212
   2871.70   7.186    125
   2870.61   7.183    141
   2853.52   7.141    115
   2852.78   7.139    117
   2852.42   7.138    110
   2845.21   7.120    107
   2844.48   7.118    111
   2844.12   7.117    104
   2842.29   7.112    123
   2841.55   7.111    126
   2841.19   7.110    119
   2833.98   7.092    106
   2833.25   7.090    110
   2832.89   7.089    104
   1053.10   2.636     41
   1050.17   2.628    951
   1045.29   2.616   1000
   1041.99   2.608     62

in CDCl3