611-17-6

2-氯苄溴(611-17-6)核磁图(¹HNMR)

产品名称:2-氯苄溴

CAS:611-17-6

分子式:C7H6BrCl

分子量: 205.48

InChI:InChI=1S/C7H6BrCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

InChIKey: PURSZYWBIQIANP-UHFFFAOYSA-N

Smiles:C1(CBr)=CC=CC=C1Cl

Mass

MS-NW-9688          
o-chlorobenzyl bromide
C7H6BrCl            (Mass of molecular ion:    204)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       1.9
      44.0       2.1
      44.5       1.6
      50.0       1.0
      51.0       1.1
      62.0       2.4
      63.0       4.9
      73.0       1.2
      84.0       2.4
      85.0       2.6
      89.0      13.0
      90.0       3.7
      91.0       1.8
      99.0       4.0
     101.0       1.3
     125.0     100.0
     126.0       8.6
     127.0      32.9
     128.0       2.7
     160.0       1.6
     162.0       1.0
     204.0       7.1
     206.0       9.2
     208.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br Cl	0.05 ml : 0.5 ml CDCl₃
o-chlorobenzyl bromide

    Assign.     Shift(ppm)

      A             7.364
      B             7.324
      C             7.19
      D             7.18
      E             4.534

     Hz     ppm     Int.

   2948.36   7.378    178
   2945.19   7.370    123
   2944.34   7.368    152
   2942.50   7.363    214
   2939.09   7.355    221
   2936.28   7.348     43
   2935.18   7.345     36
   2934.69   7.344     39
   2932.37   7.338    174
   2928.96   7.329    173
   2927.12   7.325    148
   2925.78   7.321    111
   2922.97   7.314    230
   2919.31   7.305     44
   2880.25   7.207     76
   2879.64   7.206     62
   2875.98   7.197    487
   2872.80   7.189    302
   2872.07   7.187    286
   2870.36   7.183    287
   2869.75   7.181    261
   2866.58   7.173    459
   2862.92   7.164     46
   2862.18   7.162     53
   1812.26   4.535   1000

in CDCl3