75279-55-9

2-氯-6-氟苯乙睛(75279-55-9)核磁图(¹³CNMR)

产品名称:2-氯-6-氟苯乙睛

CAS:75279-55-9

分子式:C8H5ClFN

分子量: 169.58

InChI:InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

InChIKey: ZGSAFMIRVLOISC-UHFFFAOYSA-N

Smiles:C1(CC#N)=C(F)C=CC=C1Cl

Mass

MS-NW-9382          
2-chloro-6-fluorophenylacetonitrile
C8H5ClFN            (Mass of molecular ion:    169)

   Source Temperature: 270 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      31.0       2.8
      37.0       1.4
      38.0       1.6
      39.0       2.3
      50.0       3.6
      51.0       1.7
      56.0       1.5
      57.0       7.2
      61.0       3.1
      62.0       3.5
      63.0       3.2
      64.0       1.0
      66.5       2.2
      67.0       1.1
      68.0       1.8
      69.0       1.0
      73.0       1.6
      74.0       2.8
      75.0       2.4
      76.0       1.0
      80.0       1.3
      81.0       4.8
      82.0       2.1
      83.0       1.7
      84.5       1.5
      85.0       1.3
      86.0       1.5
      87.0       2.3
      88.0       1.6
      91.0       1.1
      93.0       2.1
      94.0       1.4
     105.0       1.8
     106.0       5.4
     107.0      25.0
     108.0       5.2
     114.0       5.7
     117.0       1.3
     132.0       6.6
     133.0      14.2
     134.0     100.0
     135.0       9.2
     141.0       3.1
     142.0       2.7
     143.0       4.3
     144.0       1.1
     145.0       1.0
     149.0       3.4
     151.0       1.1
     168.0       3.0
     169.0      39.4
     170.0       4.6
     171.0      12.6
     172.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₅ Cl F N	0.05 g : 0.5 ml CDCl₃
2-chloro-6-fluorophenylacetonitrile

    Assign.     Shift(ppm)

      A             7.299
      B             7.256
      C             7.068
      D             3.843

     Hz     ppm     Int.

   2930.79   7.334    104
   2924.93   7.319     99
   2922.61   7.313    282
   2916.87   7.299    274
   2914.43   7.293    235
   2908.81   7.279    266
   2903.69   7.266    270
   2902.22   7.262    387
   2895.51   7.246    134
   2894.53   7.243    165
   2833.50   7.090    176
   2832.15   7.087    170
   2824.34   7.068    272
   2823.00   7.064    191
   2816.53   7.048    142
   2814.94   7.044    142
   1536.62   3.845   1000
   1535.03   3.841    988

in CDCl3