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351-28-0

3-氟乙酰苯胺(351-28-0)红外图谱(IR1)

产品名称: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

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    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

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

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KBr disc

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nujol mull

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