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75279-55-9

2-氯-6-氟苯乙睛(75279-55-9)核磁图(13CNMR)

产品名称:2-氯-6-氟苯乙睛

CAS:75279-55-9

分子式:C8H5ClFN

分子量: 169.58

InChI:InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

InChIKey: ZGSAFMIRVLOISC-UHFFFAOYSA-N

Smiles:C1(CC#N)=C(F)C=CC=C1Cl

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    Mass

    MS-NW-9382          
    2-chloro-6-fluorophenylacetonitrile
    C8H5ClFN            (Mass of molecular ion:    169)
    

       Source Temperature: 270 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          31.0       2.8
          37.0       1.4
          38.0       1.6
          39.0       2.3
          50.0       3.6
          51.0       1.7
          56.0       1.5
          57.0       7.2
          61.0       3.1
          62.0       3.5
          63.0       3.2
          64.0       1.0
          66.5       2.2
          67.0       1.1
          68.0       1.8
          69.0       1.0
          73.0       1.6
          74.0       2.8
          75.0       2.4
          76.0       1.0
          80.0       1.3
          81.0       4.8
          82.0       2.1
          83.0       1.7
          84.5       1.5
          85.0       1.3
          86.0       1.5
          87.0       2.3
          88.0       1.6
          91.0       1.1
          93.0       2.1
          94.0       1.4
         105.0       1.8
         106.0       5.4
         107.0      25.0
         108.0       5.2
         114.0       5.7
         117.0       1.3
         132.0       6.6
         133.0      14.2
         134.0     100.0
         135.0       9.2
         141.0       3.1
         142.0       2.7
         143.0       4.3
         144.0       1.1
         145.0       1.0
         149.0       3.4
         151.0       1.1
         168.0       3.0
         169.0      39.4
         170.0       4.6
         171.0      12.6
         172.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H5 Cl F N 0.05 g : 0.5 ml CDCl3
    2-chloro-6-fluorophenylacetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.299 B 7.256 C 7.068 D 3.843

         Hz     ppm     Int.
    

       2930.79   7.334    104
       2924.93   7.319     99
       2922.61   7.313    282
       2916.87   7.299    274
       2914.43   7.293    235
       2908.81   7.279    266
       2903.69   7.266    270
       2902.22   7.262    387
       2895.51   7.246    134
       2894.53   7.243    165
       2833.50   7.090    176
       2832.15   7.087    170
       2824.34   7.068    272
       2823.00   7.064    191
       2816.53   7.048    142
       2814.94   7.044    142
       1536.62   3.845   1000
       1535.03   3.841    988
    

in CDCl3

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KBr disc

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nujol mull

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