2039-82-9

对溴苯乙烯(2039-82-9)核磁图(¹³CNMR)

产品名称:对溴苯乙烯

CAS:2039-82-9

分子式:C8H7Br

分子量: 183.05

InChI:InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2

InChIKey: WGGLDBIZIQMEGH-UHFFFAOYSA-N

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

Mass

MS-IW-3458          
p-bromostyrene
C8H7Br              (Mass of molecular ion:    182)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.0
      37.0       1.3
      38.0       2.8
      39.0       3.2
      49.0       1.8
      50.0      15.1
      51.0      26.2
      51.5       1.5
      52.0       3.3
      53.0       1.3
      61.0       1.7
      62.0       3.3
      63.0       5.8
      73.0       1.6
      74.0       8.7
      75.0      10.7
      76.0       9.0
      77.0      47.4
      78.0       3.8
      87.0       1.1
      91.0       3.2
      92.0       2.6
      98.0       1.4
     101.0       4.7
     102.0      24.3
     103.0      65.1
     104.0       5.8
     156.0       2.3
     158.0       2.2
     181.0       3.0
     182.0     100.0
     183.0      11.6
     184.0      96.6
     185.0       9.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₇ Br	0.04 ml : 0.5 ml CDCl₃
p-bromostyrene

    Assign.     Shift(ppm)

      A             7.419
      B             7.259
      C             6.623
      D             5.730
      E             5.264
     
     J(C,D)=17.5HZ. J(D,E)=1.0HZ. J(C,E)=10.8HZ.

     Hz     ppm     Int.

    672.88   7.514     39
    672.56   7.510     40
    670.69   7.489    353
    668.75   7.468    141
    664.38   7.419    203
    662.00   7.392   1000
    660.25   7.373    200
    658.75   7.356     39
    654.69   7.311    134
    654.31   7.306    133
    652.56   7.287    903
    650.50   7.264    198
    647.81   7.234    144
    646.25   7.216    109
    645.88   7.212    113
    644.06   7.192    323
    643.63   7.187    273
    642.13   7.170     42
    641.75   7.166     38
    609.63   6.807    131
    598.88   6.687    151
    592.06   6.611    198
    581.31   6.491    229
    520.75   5.815    559
    519.81   5.805    608
    503.19   5.619    405
    502.25   5.608    383
    476.81   5.324    422
    475.88   5.314    393
    466.06   5.204    336
    465.13   5.194    345

in CDCl3