2113-57-7

3-溴聯(lián)苯(2113-57-7)核磁圖(¹HNMR)

產(chǎn)品名稱:3-溴聯(lián)苯

CAS:2113-57-7

分子式:C12H9Br

分子量: 233.1

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

InChIKey: USYQKCQEVBFJRP-UHFFFAOYSA-N

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

Mass

MS-KW-0274          
3-bromobiphenyl
C12H9Br             (Mass of molecular ion:    232)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       2.7
      50.0       5.8
      51.0       7.4
      52.0       1.4
      61.0       1.0
      62.0       3.2
      63.0      12.9
      63.5       1.9
      74.0       5.2
      75.0       9.0
      75.5       6.8
      76.0      37.6
      76.5      15.8
      77.0       7.4
      86.0       1.6
      87.0       2.1
      98.0       1.9
      99.0       1.6
     100.0       1.0
     101.0       2.7
     102.0       3.0
     103.0       1.0
     113.0       1.0
     114.0       1.0
     115.0       1.0
     116.0       4.7
     117.0       4.5
     125.0       1.5
     126.0       6.2
     127.0       6.6
     150.0       6.0
     151.0      20.2
     152.0      75.1
     153.0      39.5
     154.0       5.5
     232.0     100.0
     233.0      13.4
     234.0      97.7
     235.0      12.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂H₉Br	0.05 ml : 0.5 ml CDCl₃
3-bromobiphenyl

    Assign.     Shift(ppm)

     A           7.696
     B           7.487
     C *1        7.44
     D *1        7.42
     E           7.385
     F           7.320
     G           7.228

     Hz     ppm     Int.

   3078.86   7.702    410
   3077.15   7.698    769
   3075.44   7.693    465
   3075.20   7.693    448
   2999.39   7.503    521
   2997.93   7.499    777
   2995.85   7.494    248
   2992.31   7.485    371
   2991.95   7.484    370
   2990.97   7.482    817
   2990.48   7.481    702
   2989.63   7.479    820
   2987.55   7.473    155
   2980.84   7.457    300
   2979.74   7.454    372
   2979.13   7.452    328
   2978.03   7.450    350
   2974.98   7.442     68
   2973.15   7.437    338
   2971.93   7.434    583
   2971.44   7.433    497
   2970.34   7.430    557
   2969.85   7.429    456
   2968.76   7.426    348
   2963.75   7.414    431
   2962.77   7.411    376
   2961.80   7.409    507
   2960.82   7.407    610
   2959.60   7.404    584
   2957.89   7.399    231
   2954.72   7.391    199
   2954.11   7.390    210
   2953.25   7.388    544
   2952.52   7.386   1000
   2950.93   7.382    543
   2946.42   7.371    303
   2944.95   7.367    531
   2944.34   7.365    489
   2942.75   7.361    134
   2933.35   7.338    263
   2931.89   7.334    482
   2930.55   7.331    288
   2927.01   7.322    183
   2924.57   7.316    464
   2922.25   7.310    135
   2918.71   7.301    114
   2917.36   7.298    186
   2916.14   7.295    105
   2896.86   7.247    475
   2896.49   7.246    483
   2888.80   7.226    764
   2881.11   7.207    339
   2880.86   7.207    335

in CDCl3