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459-22-3

对氟苯乙腈(459-22-3)核磁图(13CNMR)

产品名称:对氟苯乙腈

CAS:459-22-3

分子式:C8H6FN

分子量: 135.14

InChI:InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

InChIKey: JHQBLYITVCBGTO-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5675          
    p-fluorophenylacetonitrile
    C8H6FN              (Mass of molecular ion:    135)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       1.8
          31.0       2.5
          37.0       1.7
          38.0       1.8
          39.0       3.5
          50.0       5.1
          51.0       3.4
          56.0       1.5
          57.0       8.5
          57.5       1.0
          61.0       2.3
          62.0       3.4
          63.0       4.4
          64.0       1.5
          67.5       2.4
          68.0       1.5
          69.0       2.2
          70.0       1.2
          74.0       2.2
          75.0       5.7
          76.0       1.6
          81.0       4.5
          82.0       2.2
          83.0       5.2
          87.0       1.5
          88.0       2.2
          89.0       2.2
          94.0       1.1
          95.0       3.2
          96.0       1.0
         105.0       1.0
         106.0       1.4
         107.0      25.1
         108.0      42.8
         109.0      11.1
         114.0       1.1
         115.0      11.5
         116.0       2.0
         132.0       1.2
         134.0      48.8
         135.0     100.0
         136.0       8.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H6 F N 0.04 ml : 0.5 ml CDCl3
    p-fluorophenylacetonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.28 B 7.07 C 3.712 J(A,F-19)=5.3HZ, J(B,F-19)=8.6HZ

         Hz     ppm     Int.
    

        661.81   7.390     92
        661.13   7.382    206
        660.44   7.375    159
        659.38   7.363     71
        658.69   7.355     96
        658.06   7.348     60
        656.56   7.331    111
        655.88   7.324    233
        655.25   7.317    220
        654.56   7.309    164
        652.13   7.282    412
        650.25   7.261    170
        649.38   7.251    150
        646.88   7.223    398
        644.88   7.201     71
        644.25   7.194     85
        643.63   7.187     54
        642.44   7.174    108
        639.81   7.144    583
        637.44   7.118    148
        634.13   7.081     96
        633.31   7.072    121
        631.44   7.051    670
        629.13   7.025    153
        624.88   6.978     96
        622.56   6.952    264
        332.69   3.715    961
        332.31   3.711   1000
    

in CDCl3

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liquid film

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