18944-77-9

o-fluorocinnamic acid (18944-77-9)红外图谱(IR2)

产品名称:o-fluorocinnamic acid

CAS:18944-77-9

分子式:C9H7FO2

分子量: 166.15

InChI:InChI=1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+

InChIKey: IOUDZAFBPDDAMK-AATRIKPKSA-N

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

Mass

MS-NW-7275          
trans-2-fluorocinnamic acid
C9H7FO2             (Mass of molecular ion:    166)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.0
      28.0       2.5
      31.0       1.7
      37.0       1.5
      38.0       2.1
      39.0       4.7
      43.0       1.8
      44.0       2.7
      45.0       5.8
      49.0       1.9
      50.0      11.6
      50.5       6.0
      51.0      16.3
      52.0       2.5
      53.0       1.2
      54.0       1.1
      55.0       2.4
      57.0       4.2
      59.0       1.4
      60.0       9.9
      60.5       6.9
      61.0       3.2
      62.0       4.1
      63.0       7.2
      64.0       1.4
      68.0       4.7
      69.0       8.7
      70.0       6.2
      71.0       2.3
      73.0       2.8
      74.0      11.4
      74.5       4.8
      75.0      35.9
      76.0       4.9
      77.0       2.9
      79.0       1.2
      81.0       4.0
      83.0       6.9
      86.0       1.3
      87.0       1.9
      89.0       4.2
      90.0       9.0
      91.0       3.5
      92.0       2.0
      93.0       3.1
      94.0       8.8
      95.0       9.7
      96.0       6.6
      97.0       4.0
      98.0       2.5
      99.0       3.6
     100.0       2.5
     101.0      81.3
     102.0       9.1
     103.0       3.5
     105.0       1.6
     107.0       1.6
     109.0      23.7
     110.0       3.1
     112.0       1.0
     118.0      92.3
     119.0       9.9
     120.0      27.8
     121.0      49.8
     122.0       5.5
     123.0       4.6
     125.0       5.9
     137.0       2.5
     138.0       4.5
     146.0      36.1
     147.0      25.6
     148.0       4.2
     149.0      40.1
     150.0       4.3
     165.0      24.1
     166.0     100.0
     167.0      10.4
     168.0       1.1
     194.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₇ F O₂	0.042 g : 0.5 ml DMSO-d₆
trans-2-fluorocinnamic acid

    Assign.     Shift(ppm)

      A            12.64
      B             7.859
      C             7.702
      D             7.496
      E             7.30
      G             7.28
      J             6.634
     
     J(C,J)=16.3HZ
     J(D,F-19)=5.5HZ

     Hz     ppm     Int.

   5050.81  12.639    161
   3149.55   7.881    175
   3147.90   7.877    204
   3141.85   7.862    327
   3140.21   7.858    394
   3133.61   7.841    175
   3132.15   7.838    201
   3086.91   7.725    642
   3070.60   7.684    690
   3007.96   7.527     98
   3006.31   7.523    117
   3002.47   7.513    115
   3000.82   7.509    234
   2999.53   7.506    205
   2998.99   7.505    213
   2998.07   7.502    188
   2994.59   7.494    190
   2993.49   7.491    221
   2992.39   7.488    287
   2990.74   7.484    180
   2986.90   7.474    143
   2985.25   7.470    144
   2930.11   7.332    236
   2929.02   7.329    307
   2921.69   7.311    226
   2920.77   7.309    283
   2918.57   7.303    706
   2910.70   7.284    778
   2903.56   7.266    232
   2902.82   7.264    231
   2902.46   7.263    221
   2659.39   6.655   1000
   2643.09   6.614    919

in DMSO-d6