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

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

¹H NMR	89.56 MHz
C₇ H₄ F N	0.042 g : 0.5 ml CDCl₃
p-fluorobenzonitrile

    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