14290-86-9

氟肉桂酸(14290-86-9)紅外圖譜(IR1)

產品名稱:氟肉桂酸

CAS:14290-86-9

分子式:C9H7FO2

分子量: 166.15

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

InChIKey: ISMMYAZSUSYVQG-ZZXKWVIFSA-N

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

Mass

MS-NW-8183          
trans-4-fluorocinnamic acid
C9H7FO2             (Mass of molecular ion:    166)

   Source Temperature: 160 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      17.0       1.5
      18.0       7.9
      28.0       4.0
      39.0       1.7
      45.0       2.4
      50.0       4.2
      50.5       1.3
      51.0       5.7
      55.0       1.0
      57.0       2.2
      60.0       3.4
      60.5       2.0
      61.0       1.0
      62.0       1.4
      63.0       2.7
      68.0       1.3
      69.0       4.3
      70.0       3.1
      71.0       1.0
      73.0       1.0
      74.0       4.1
      74.5       1.4
      75.0      16.5
      76.0       1.7
      81.0       1.4
      83.0       3.8
      93.0       1.2
      94.0       4.3
      95.0       9.3
      96.0       4.0
      97.0       2.6
      98.0       1.0
      99.0       1.8
     100.0       1.7
     101.0      37.6
     102.0       3.6
     109.0      16.2
     110.0       2.1
     119.0       1.0
     120.0      24.0
     121.0      37.0
     122.0       3.5
     123.0       2.4
     125.0       3.9
     137.0       2.4
     138.0       7.2
     147.0       1.7
     148.0       5.9
     149.0      37.0
     150.0       3.7
     165.0      46.1
     166.0     100.0
     167.0      10.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₇ F O₂	0.051 g : 0.5 ml DMSO-d₆
trans-4-fluorocinnamic acid

    Assign.     Shift(ppm)

      A            12.5
      B             7.787
      C             7.640
      D             7.266
      E             6.536

     Hz     ppm     Int.

   4976.56  12.453     78
   3122.31   7.813     77
   3119.38   7.806    478
   3117.43   7.801    228
   3113.77   7.792    526
   3110.60   7.784    548
   3107.18   7.775    216
   3104.98   7.770    489
   3102.29   7.763     79
   3061.52   7.661    545
   3045.65   7.621    581
   2915.77   7.296     76
   2912.84   7.289    537
   2910.64   7.283    215
   2906.01   7.272    223
   2903.81   7.266   1000
   2896.97   7.249    175
   2895.02   7.244    510
   2892.09   7.237     73
   2619.87   6.556    663
   2603.76   6.516    603

in CDCl3