591-18-4

1-溴-3-碘苯(591-18-4)质谱(MS)

产品名称:1-溴-3-碘苯

CAS:591-18-4

分子式:C6H4BrI

分子量: 282.9

InChI:InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H

InChIKey: CTPUUDQIXKUAMO-UHFFFAOYSA-N

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

¹HNMR

IR1

Raman

Mass

MS-NW-8531          
m-bromoiodobenzene
C6H4BrI             (Mass of molecular ion:    282)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      37.0       5.6
      38.0       5.4
      39.0       1.1
      49.0       5.8
      50.0      55.1
      51.0       6.3
      61.0       1.1
      73.0       6.5
      74.0      28.6
      75.0      55.4
      76.0      57.0
      77.0       4.0
     127.0       8.6
     128.0       2.3
     129.0       1.5
     131.0       1.4
     141.0       3.3
     142.0       3.2
     155.0      70.7
     156.0       5.5
     157.0      68.0
     158.0       4.6
     203.0       1.9
     282.0     100.0
     283.0       6.7
     284.0      97.7
     285.0       6.4

parameter in TMS

¹H NMR	300 MHz
C₆ H₄ Br I	10 mol% in TMS
m-bromoiodobenzene

    Parameter     ppm  Hz

      D(A)         7.771
      D(B)         7.481
      D(C)         6.767
      D(D)         7.312
       J(A,B)          1.60
       J(A,C)          0.25
       J(A,D)          1.88
       J(B,C)          7.93
       J(B,D)          0.96
       J(C,D)          8.05
     
     CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)

     Hz     ppm     Int.

   2333.04   7.777    550
   2331.32   7.771    994
   2329.60   7.765    582
   2249.59   7.499    332
   2248.62   7.495    406
   2248.07   7.494    392
   2247.08   7.490    330
   2241.68   7.472    356
   2240.69   7.469    437
   2240.15   7.467    421
   2239.15   7.464    355
   2199.11   7.330    329
   2198.17   7.327    356
   2197.27   7.324    355
   2196.32   7.321    316
   2191.08   7.304    366
   2190.12   7.300    390
   2189.21   7.297    394
   2188.27   7.294    344
   2037.92   6.793    555
   2029.93   6.766   1000
   2021.95   6.740    468

liquid film