1435-48-9

2,4-二氯氟苯(1435-48-9)核磁图(¹HNMR)

产品名称:2,4-二氯氟苯

CAS:1435-48-9

分子式:C6H3Cl2F

分子量: 164.99

InChI:InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H

InChIKey: BDJZCCWUSOZUQG-UHFFFAOYSA-N

Smiles:C1(F)=CC=C(Cl)C=C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2210          
2,4-dichloro-1-fluorobenzene
C6H3Cl2F            (Mass of molecular ion:    164)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      31.0       1.4
      37.0       2.2
      49.0       1.3
      50.0       4.8
      61.0       2.5
      62.0       2.0
      63.0       2.4
      64.0       3.2
      65.0       1.0
      68.0       4.7
      69.0       1.5
      73.0       2.6
      74.0       6.5
      75.0       2.0
      82.0       4.9
      83.0       3.2
      84.0       2.3
      92.0       2.5
      93.0       9.8
      94.0       6.4
      97.0       1.0
     103.0       1.0
     104.0       1.1
     109.0       6.7
     111.0       2.2
     128.0       4.8
     129.0      34.0
     130.0       3.8
     131.0      11.0
     164.0     100.0
     165.0       6.8
     166.0      64.2
     167.0       4.3
     168.0      10.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Cl₂ F	0.05 ml : 0.5 ml CDCl₃
2,4-dichloro-1-fluorobenzene

    Assign.     Shift(ppm)

      A             7.364
      B             7.178
      C             7.053
     
     J(A,B)=2.6HZ
     J(A,F-19)=6.4HZ
     J(B,C)=8.8HZ
     J(B,F-19)=4.2HZ
     J(C,F-19)=8.8HZ

     Hz     ppm     Int.

   2947.75   7.376    613
   2945.19   7.370    646
   2941.41   7.360    613
   2938.84   7.354    634
   2935.67   7.346     31
   2877.08   7.200    314
   2874.51   7.193    303
   2872.92   7.189    329
   2870.36   7.183    305
   2868.29   7.178    434
   2865.72   7.171    423
   2864.14   7.167    436
   2861.57   7.161    393
   2830.20   7.082     39
   2826.66   7.073    698
   2823.85   7.066     41
   2818.12   7.052   1000
   2814.33   7.042     44
   2809.33   7.030    505
   2805.54   7.020     31

in CDCl3