3-氟乙酰苯胺(351-28-0)紅外圖譜(IR2)

產(chǎn)品名稱:3-氟乙酰苯胺

CAS:351-28-0

分子式:C8H8FNO

分子量: 153.15

InChI:InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)

InChIKey: AQLLDCFUQXGLHM-UHFFFAOYSA-N

Smiles:C(NC1=CC=CC(F)=C1)(=O)C

Mass

MS-IW-2639          
3'-fluoroacetanilide
C8H8FNO             (Mass of molecular ion:    153)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       2.2
      28.0       2.3
      38.0       1.3
      39.0       1.8
      42.0       1.4
      43.0      40.0
      44.0       1.1
      45.0       2.1
      50.0       1.2
      51.0       1.0
      52.0       1.1
      57.0       5.8
      60.0       1.5
      62.0       1.1
      63.0       2.6
      64.0       2.4
      65.0       1.1
      75.0       2.6
      81.0       1.4
      82.0       1.8
      83.0       9.6
      84.0      12.6
      85.0       1.1
      91.0       2.2
      95.0       2.7
     109.0       1.2
     110.0       2.7
     111.0     100.0
     112.0       7.3
     153.0      23.8
     154.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ F N O	0.040 g : 0.5 ml CDCl₃
3'-fluoroacetanilide

    Assign.     Shift(ppm)

      A             8.41
      B             7.487
      C             7.218
      D             7.168
      E             6.785
      F             2.166

     Hz     ppm     Int.

   3362.18   8.413     41
   3000.00   7.507     47
   2997.80   7.502     73
   2995.73   7.496     47
   2989.01   7.480     48
   2986.82   7.474     72
   2984.74   7.469     47
   2897.71   7.251     30
   2891.24   7.235     38
   2889.53   7.231     82
   2883.18   7.215     81
   2881.47   7.210     69
   2875.24   7.195     64
   2868.65   7.178     80
   2867.43   7.175    106
   2865.84   7.171     85
   2860.60   7.158     43
   2858.76   7.154     52
   2857.67   7.151     39
   2721.56   6.810     32
   2720.46   6.808     36
   2718.99   6.804     36
   2718.02   6.802     34
   2713.26   6.790     59
   2712.04   6.787     61
   2710.82   6.783     64
   2709.72   6.781     57
   2705.20   6.769     31
   2703.98   6.766     33
   2702.64   6.763     32
    865.60   2.166   1000

in CDCl3