4-溴代聯(lián)苯(92-66-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-溴代聯(lián)苯

CAS:92-66-0

分子式:C12H9Br

分子量: 233.1

InChI:InChI=1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChIKey: PKJBWOWQJHHAHG-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=C(Br)C=C1

Mass

MS-NW-9691          
4-bromobiphenyl
C12H9Br             (Mass of molecular ion:    232)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       1.0
      50.0       2.5
      51.0       3.5
      62.0       1.5
      63.0       8.4
      63.5       1.4
      74.0       2.4
      75.0       5.4
      75.5       4.4
      76.0      24.2
      76.5      10.1
      77.0       4.4
     101.0       1.7
     102.0       1.8
     116.0       4.5
     117.0       4.4
     126.0       3.7
     127.0       4.3
     150.0       4.4
     151.0      15.3
     152.0      62.7
     153.0      27.6
     154.0       4.9
     232.0     100.0
     233.0      13.3
     234.0      97.6
     235.0      12.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₉ Br	0.031 g : 0.5 ml CDCl₃
4-bromobiphenyl

    Assign.     Shift(ppm)

      A             7.55
      B             7.54
      C             7.44
      D             7.43
      E             7.357

     Hz     ppm     Int.

   3026.12   7.572     37
   3023.93   7.567    109
   3021.48   7.561    679
   3019.41   7.556    307
   3018.19   7.553    362
   3016.72   7.549    502
   3014.89   7.544    393
   3012.82   7.539    886
   3010.38   7.533    358
   3009.77   7.532    544
   3009.16   7.530    431
   3008.42   7.528    448
   3006.35   7.523    100
   2982.91   7.464     49
   2980.47   7.458    172
   2978.15   7.452    987
   2976.68   7.449    402
   2975.95   7.447    340
   2974.85   7.444    174
   2971.44   7.436    343
   2969.48   7.431   1000
   2968.02   7.427    317
   2966.92   7.424    145
   2963.38   7.415    178
   2961.91   7.412    299
   2961.30   7.410    241
   2959.72   7.406     72
   2947.39   7.375    142
   2946.04   7.372    253
   2944.70   7.369    143
   2940.92   7.359    102
   2938.72   7.354    240
   2936.40   7.348     81
   2932.74   7.339     65
   2931.40   7.335     98
   2930.18   7.332     55

in CDCl3