403-42-9

4-氟苯乙酮(403-42-9)核磁图(¹HNMR)

产品名称:4-氟苯乙酮

CAS:403-42-9

分子式:C8H7FO

分子量: 138.14

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

InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N

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

Mass

MS-NW-6439          
4'-fluoroacetophenone
C8H7FO              (Mass of molecular ion:    138)

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

      15.0       3.2
      31.0       1.1
      37.0       1.0
      38.0       1.1
      39.0       1.5
      42.0       1.0
      43.0      13.0
      50.0       5.0
      51.0       2.8
      57.0       2.0
      61.5       1.0
      62.0       1.3
      63.0       1.6
      68.0       1.8
      69.0       3.3
      70.0       1.0
      74.0       3.0
      75.0      14.5
      76.0       1.4
      83.0       1.4
      94.0       2.7
      95.0      60.5
      96.0       5.8
     109.0       1.6
     123.0     100.0
     124.0       7.7
     138.0      21.9
     139.0       2.2

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             7.977
      B             7.113
      C             2.577

     Hz     ppm     Int.

   3198.24   8.003     40
   3195.43   7.996    230
   3193.24   7.991     91
   3189.94   7.982    242
   3188.48   7.979    108
   3187.74   7.977    108
   3186.28   7.973    230
   3183.11   7.965     96
   3180.91   7.960    232
   3178.10   7.953     40
   2854.37   7.143     44
   2851.56   7.136    246
   2849.37   7.130     81
   2845.95   7.122     58
   2844.73   7.119    104
   2843.14   7.115    316
   2842.53   7.113    291
   2840.94   7.109     92
   2839.60   7.106     48
   2836.18   7.097     83
   2834.11   7.092    219
   2831.18   7.085     41
   1029.91   2.578   1000
   1026.61   2.569     63

in CDCl3