2,5-二氟苯乙酮(1979-36-8)核磁圖(¹³CNMR)

產品名稱:2,5-二氟苯乙酮

CAS:1979-36-8

分子式:C8H6F2O

分子量: 156.13

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

InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC(F)=CC=C1F)C

Mass

MS-IW-9015          
2',5'-difluoroacetophenone
C8H6F2O             (Mass of molecular ion:    156)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.9
      31.0       1.4
      42.0       1.5
      43.0      25.2
      50.0       2.1
      51.0       1.0
      57.0       2.7
      61.0       1.3
      62.0       2.8
      63.0      14.0
      68.0       1.7
      69.0       1.2
      70.5       1.8
      74.0       1.7
      75.0       1.7
      81.0       2.0
      93.0       1.9
      94.0       1.3
     101.0       1.1
     107.0       1.2
     112.0       1.5
     113.0      40.5
     114.0       5.5
     127.0       1.8
     141.0     100.0
     142.0       7.8
     156.0      36.9
     157.0       3.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₆ F₂ O	0.05 ml : 0.5 ml CDCl₃
2',5'-difluoroacetophenone

    Assign.     Shift(ppm)

      A             7.536
      B             7.220
      C             7.139
      D             2.643

     Hz     ppm     Int.

   3020.75   7.559     82
   3020.39   7.558     83
   3017.46   7.551     91
   3015.26   7.545     90
   3014.89   7.544     90
   3011.72   7.536    157
   3008.54   7.528     90
   3006.59   7.524     87
   3006.23   7.523     88
   3003.30   7.515     87
   3002.93   7.514     86
   2898.19   7.252     50
   2894.90   7.244     59
   2894.41   7.243     67
   2891.11   7.235     97
   2889.16   7.230     90
   2887.82   7.226     67
   2887.33   7.225     74
   2885.86   7.221    104
   2885.38   7.220    106
   2884.03   7.217     64
   2882.08   7.212    149
   2878.78   7.204     97
   2878.30   7.203    100
   2875.00   7.194     76
   2863.65   7.166    105
   2859.74   7.156    106
   2859.38   7.155    107
   2854.00   7.142    120
   2853.64   7.141    114
   2849.85   7.131    120
   2849.49   7.130    115
   2844.97   7.119     67
   2844.60   7.118     68
   2840.82   7.109     64
   2840.45   7.108     64
   1058.84   2.650   1000
   1053.71   2.637    966

in CDCl3