4,4'-二溴二苯醚(2050-47-7)紅外圖譜(IR2)

產(chǎn)品名稱:4,4'-二溴二苯醚

CAS:2050-47-7

分子式:C12H8Br2O

分子量: 328

InChI:InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

InChIKey: YAWIAFUBXXPJMQ-UHFFFAOYSA-N

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

Mass

MS-NW-1846          
bis(p-bromophenyl) ether
C12H8Br2O           (Mass of molecular ion:    326)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.8
      37.0       1.6
      38.0       6.8
      39.0       4.6
      50.0      27.1
      51.0       5.6
      61.0       1.5
      62.0       4.6
      63.0      17.8
      64.0      11.1
      65.0       3.6
      69.0       1.5
      69.5       4.9
      70.0       2.3
      73.0       1.2
      74.0       9.0
      75.0      28.0
      76.0      29.3
      77.0       4.0
      84.0      15.7
      84.5       2.3
      89.0       1.1
      92.0       4.1
      93.0       1.6
     113.0       1.2
     114.0       1.9
     117.0       2.5
     119.0       2.5
     123.0       1.4
     123.5       2.6
     124.0       1.7
     124.5       2.5
     129.0       1.0
     131.0       1.0
     138.0       1.1
     139.0      16.2
     140.0      21.7
     141.0       3.6
     143.0       7.4
     145.0       7.2
     155.0      12.0
     156.0       1.0
     157.0      11.9
     167.0       1.1
     168.0      45.7
     169.0       6.3
     171.0       3.3
     172.0       5.4
     173.0       3.5
     174.0       5.1
     193.0       1.1
     195.0       1.0
     219.0      15.8
     220.0       2.1
     221.0      15.5
     222.0       2.0
     246.0       1.3
     248.0       3.2
     250.0       1.9
     326.0      51.4
     327.0       6.9
     328.0     100.0
     329.0      13.2
     330.0      49.1
     331.0       6.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₈ Br₂ O	0.047 g : 0.5 ml CDCl₃
bis(p-bromophenyl) ether

    Assign.     Shift(ppm)

      A             7.426
      B             6.869

     Hz     ppm     Int.

    673.63   7.522     51
    670.44   7.486    726
    669.81   7.479    236
    668.94   7.470     73
    668.19   7.461    214
    663.69   7.411    240
    661.38   7.385   1000
    660.00   7.370     68
    658.25   7.350    117
    622.31   6.949     90
    619.19   6.914    955
    616.88   6.888    236
    612.38   6.838    197
    610.13   6.813    688
    606.94   6.777     61

in CDCl3