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824-75-9

对氟苯甲酰胺(824-75-9)Raman光谱

产品名称:对氟苯甲酰胺

CAS:824-75-9

分子式:C7H6FNO

分子量: 139.13

InChI:InChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)

InChIKey: VNDHYTGVCGVETQ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6918          
    p-fluorobenzamide
    C7H6FNO             (Mass of molecular ion:    139)
    

       Source Temperature: 270 °C
       Sample Temperature: 200 °C
       Reservoir, 75 eV
    

          16.0       1.1
          27.0       1.0
          28.0       1.3
          31.0       2.7
          37.0       4.1
          38.0       3.4
          39.0       2.9
          44.0      10.7
          45.0       1.6
          49.0       2.8
          50.0      14.5
          51.0       7.3
          52.0       1.7
          55.5       1.8
          56.0       1.8
          57.0       4.4
          61.0       3.1
          62.0       3.0
          63.0       3.5
          68.0       5.9
          69.0       8.2
          70.0       3.9
          73.0       2.5
          74.0       9.8
          75.0      35.3
          76.0       4.2
          81.0       1.2
          83.0       2.8
          92.0       1.9
          93.0       2.7
          94.0       8.6
          95.0      80.1
          96.0       9.7
         110.0       1.2
         121.0       4.8
         122.0       1.9
         123.0     100.0
         124.0       8.3
         139.0      61.7
         140.0       5.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H6 F N O 0.05 g : 0.5 ml DMSO-d6
    p-fluorobenzamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.46 B 7.988 C *1 8.06 D 7.302 J(B,D)=J(D,F-19)=8.9HZ, J(B,F-19)=5.6HZ

         Hz     ppm     Int.
    

       3222.90   8.065    162
       3204.35   8.018     42
       3202.51   8.014     81
       3199.58   8.006    506
       3197.39   8.001    218
       3193.97   7.992    542
       3191.89   7.987    277
       3190.67   7.984    572
       3187.26   7.976    215
       3185.06   7.970    526
       3182.13   7.963     74
       2981.20   7.460    158
       2931.52   7.336     35
       2929.93   7.332     77
       2927.00   7.324    535
       2924.80   7.319    191
       2920.17   7.307    211
       2918.09   7.302   1000
       2916.02   7.297    217
       2911.25   7.285    174
       2909.18   7.280    505
       2906.13   7.272     65
    

KBr disc

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nujol mull

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4880 A,200 M,powder

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