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529-28-2

2-碘苯甲醚(529-28-2)紅外圖譜(IR1)

產(chǎn)品名稱:2-碘苯甲醚

CAS:529-28-2

分子式:C7H7IO

分子量: 234.03

InChI:InChI=1S/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

InChIKey: DVQWNQBEUKXONL-UHFFFAOYSA-N

Smiles:C1(I)=CC=CC=C1OC

  • 圖譜
    Mass 

    MS-NW-8766          
o-iodoanisole
C7H7IO              (Mass of molecular ion:    234)


       Source Temperature: 270 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV


          38.0       2.7
      39.0       1.3
      50.0       4.4
      51.0       5.5
      62.0       1.8
      63.0       8.0
      64.0      10.5
      74.0       1.6
      75.0       1.2
      76.0       5.0
      77.0      16.6
      78.0       2.0
      79.0       2.4
      92.0      29.7
      93.0       2.0
     117.0       1.2
     127.0       1.3
     191.0       7.7
     203.0       1.4
     219.0      24.5
     220.0       1.8
     234.0     100.0
     235.0       7.7

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7 H7 I O 0.05 ml : 0.5 ml CDCl3
    o-iodoanisole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.734
      B             7.257
      C             6.766
      D             6.668
      E             3.804
     
     J(A,B)=1.6HZ
     J(A,D)=7.6HZ
     J(B,C)=8.3HZ
     J(B,D)=7.4HZ
     J(C,D)=1.3HZ
  

         Hz     ppm     Int.


       3095.83   7.747    150
   3094.12   7.743    163
   3088.01   7.727    163
   3086.43   7.723    171
   2909.18   7.280     84
   2907.59   7.276     83
   2901.73   7.261    100
   2900.88   7.259    122
   2900.15   7.257    129
   2899.29   7.255    122
   2893.55   7.241    100
   2891.97   7.237     99
   2708.74   6.778    126
   2707.40   6.775    148
   2700.44   6.758    121
   2699.10   6.754    138
   2673.22   6.689    104
   2671.88   6.686    104
   2665.53   6.670    147
   2664.06   6.666    149
   2658.08   6.652     99
   2656.74   6.648     98
   1520.39   3.805   1000

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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