2,4-Difluoroaniline(367-25-9) ¹³C NMR

Product Name2,4-Difluoroaniline

CAS 367-25-9

Molecular FormulaC6H5F2N

Molecular Weight129.11

InChIInChI=1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

InChIKey CEPCPXLLFXPZGW-UHFFFAOYSA-N

SmilesC1(N)=CC=C(F)C=C1F

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Mass

MS-IW-9511          
2,4-difluoroaniline
C6H5F2N             (Mass of molecular ion:    129)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       8.6
      31.0       3.8
      38.0       1.2
      50.0       2.0
      51.0       4.7
      52.0       4.0
      56.0       1.9
      57.0       4.3
      61.0       1.3
      62.0       2.4
      63.0       3.4
      64.5       4.5
      65.0       1.0
      75.0       4.2
      76.0       1.7
      81.0       4.4
      82.0      17.8
      83.0       3.4
      89.0       2.7
      98.0       1.0
      99.0       1.3
     100.0       1.5
     101.0      24.3
     102.0      20.8
     103.0       1.8
     108.0       2.7
     109.0      11.1
     110.0       1.2
     128.0       5.7
     129.0     100.0
     130.0       7.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ F₂ N	0.05 ml : 0.5 ml CDCl₃
2,4-difluoroaniline

    Assign.     Shift(ppm)

      A             6.754
      B             6.67
      C             3.59

     Hz     ppm     Int.

   2710.82   6.783    285
   2709.72   6.781    320
   2708.86   6.779    295
   2707.76   6.776    297
   2702.15   6.762    312
   2701.29   6.760    334
   2699.83   6.756    526
   2699.10   6.754    554
   2697.27   6.750    344
   2696.66   6.748    331
   2691.04   6.734    282
   2690.19   6.732    286
   2688.84   6.728    326
   2687.99   6.726    316
   2676.39   6.697    128
   2673.95   6.691    102
   2671.39   6.685    192
   2669.92   6.681    917
   2668.82   6.678    666
   2667.72   6.676    873
   2665.28   6.670    508
   2663.57   6.665   1000
   2662.72   6.663    977
   2659.91   6.656    774
   2657.59   6.650    869
   2656.74   6.648    561
   2654.79   6.643    155
   2654.05   6.641    131
   2651.25   6.634     86
   2648.80   6.628     79
   1436.04   3.594    205

in CDCl3