55117-15-2

2-氯-6-氟氯苄(55117-15-2)核磁图(¹HNMR)

产品名称:2-氯-6-氟氯苄

CAS:55117-15-2

分子式:C7H5Cl2F

分子量: 179.02

InChI:InChI=1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey: MJGOLNNLNQQIHR-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(F)=C1CCl

Mass

MS-NW-8811          
2-chloro-6-fluorobenzyl chloride
C7H5Cl2F            (Mass of molecular ion:    178)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.1
      39.0       1.2
      50.0       1.7
      51.0       1.3
      53.0       1.0
      53.5       1.3
      57.0       5.0
      61.0       2.9
      62.0       2.9
      63.0       2.6
      71.0       2.4
      71.5       2.3
      72.0       1.1
      73.0       1.4
      79.0       1.5
      80.0       1.6
      81.0       4.3
      83.0       2.3
      91.0       1.0
     107.0      16.5
     108.0       6.0
     117.0       3.9
     119.0       1.2
     143.0     100.0
     144.0       8.0
     145.0      32.6
     146.0       2.5
     178.0      17.5
     179.0       1.8
     180.0      11.2
     182.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Cl₂ F	0.05 ml : 0.5 ml CDCl₃
2-chloro-6-fluorobenzyl chloride

    Assign.     Shift(ppm)

      A             7.228
      B             7.19
      C             6.996
      D             4.731
     
     J(F-19,D)=2.0HZ

     Hz     ppm     Int.

   2902.10   7.262    124
   2896.36   7.248    120
   2894.04   7.242    330
   2888.18   7.227    292
   2885.86   7.221    301
   2883.18   7.215     50
   2880.49   7.208    359
   2878.42   7.203    306
   2877.69   7.201    309
   2876.59   7.198    456
   2869.51   7.181    155
   2868.29   7.178    149
   2804.69   7.018    184
   2803.34   7.015    181
   2796.63   6.998    180
   2795.53   6.995    286
   2793.82   6.991    201
   2787.84   6.976    142
   2786.13   6.972    150
   1892.09   4.735    978
   1890.26   4.730   1000

in CDCl3