4-Fluoroaniline(371-40-4) ¹H NMR

Product Name4-Fluoroaniline

CAS 371-40-4

Molecular FormulaC6H6FN

Molecular Weight111.12

InChIInChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChIKey KRZCOLNOCZKSDF-UHFFFAOYSA-N

SmilesC1(N)=CC=C(F)C=C1

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Mass

MS-NW-0998          
p-fluoroaniline
C6H6FN              (Mass of molecular ion:    111)

   Source Temperature: 250 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      28.0       3.9
      31.0       1.8
      37.0       1.1
      38.0       1.5
      39.0       2.4
      41.0       2.6
      45.5       1.1
      50.0       1.3
      51.0       1.3
      52.0       2.7
      55.5       3.6
      56.0       1.5
      57.0       6.7
      58.0       1.1
      61.0       1.1
      62.0       1.4
      63.0       3.4
      64.0       6.4
      65.0       2.5
      75.0       1.0
      81.0       1.7
      82.0       1.7
      83.0      18.3
      84.0      30.1
      85.0       2.9
      91.0       3.9
      94.0       1.1
     110.0       6.1
     111.0     100.0
     112.0       6.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₆ F N	0.02 ml : 0.5 ml CDCl₃
p-fluoroaniline

    Assign.     Shift(ppm)

      A             6.82
      B             6.59
      C             3.45
     
     J(A,B)=9.2HZ
     J(A,F-19)=9.0HZ
     J(B,F-19)=4.7HZ

     Hz     ppm     Int.

    621.94   6.945    461
    621.44   6.939    254
    619.44   6.917    177
    615.38   6.872    228
    613.00   6.845   1000
    611.00   6.823    207
    609.69   6.808    144
    607.00   6.778    216
    604.44   6.749    842
    601.38   6.715    151
    599.38   6.693    128
    596.25   6.658    842
    594.63   6.640    195
    593.69   6.629    243
    591.63   6.606    843
    589.56   6.583    258
    589.00   6.577    251
    587.56   6.561    325
    587.06   6.555    451
    585.00   6.532    168
    583.81   6.519     76
    582.94   6.509    278
    582.38   6.503    370
    308.63   3.447    655

in CDCl3