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1194-02-1

对氟苯腈(1194-02-1)红外图谱(IR2)

产品名称:对氟苯腈

CAS:1194-02-1

分子式:C7H4FN

分子量: 121.11

InChI:InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H

InChIKey: AEKVBBNGWBBYLL-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6601          
    p-fluorobenzonitrile
    C7H4FN              (Mass of molecular ion:    121)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          31.0       2.5
          37.0       2.4
          38.0       1.4
          39.0       2.0
          49.0       1.3
          50.0       6.7
          51.0       2.2
          57.0       3.8
          60.5       2.2
          61.0       1.8
          62.0       1.3
          63.0       1.8
          64.0       1.2
          68.0       3.0
          69.0       2.4
          70.0       4.7
          73.0       1.1
          74.0       2.6
          75.0       5.5
          76.0       3.0
          81.0       1.5
          88.0       1.2
          93.0       2.3
          94.0      27.1
          95.0       5.3
          99.0       1.2
         100.0       2.2
         101.0       1.4
         120.0       1.3
         121.0     100.0
         122.0       7.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H4 F N 0.042 g : 0.5 ml CDCl3
    p-fluorobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.683 B 7.187 J(A,B)=9.1 Hz. J(A, F-19)= 5.1Hz. J(B, F-19)= 8.2Hz.

         Hz     ppm     Int.
    

        698.50   7.800     70
        695.88   7.770    600
        695.19   7.763    197
        693.69   7.746    216
        690.75   7.713    627
        690.06   7.706    211
        689.06   7.694    268
        688.56   7.689    233
        686.81   7.669    854
        685.50   7.655     53
        683.94   7.637    241
        681.69   7.612    842
        679.13   7.583    117
        654.06   7.304    118
        651.50   7.275    856
        649.25   7.250    226
        645.81   7.211    124
        644.63   7.198    194
        643.25   7.183   1000
        642.44   7.174    695
        641.00   7.158    245
        639.88   7.145     84
        636.38   7.106    181
        634.88   7.089    195
        634.19   7.082    594
        631.56   7.052     65
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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