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699-08-1

4-碘苯乙醚(699-08-1)质谱(MS)

产品名称:4-碘苯乙醚

CAS:699-08-1

分子式:C8H9IO

分子量: 248.06

InChI:InChI=1S/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

InChIKey: VSIIHWOJPSSIDI-UHFFFAOYSA-N

Smiles:C1(OCC)=CC=C(I)C=C1

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    Mass

    MS-IW-1368          
    p-iodophenetole
    C8H9IO              (Mass of molecular ion:    248)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.1
          29.0       2.1
          38.0       1.7
          39.0       4.2
          50.0       2.8
          62.0       1.6
          63.0       5.3
          64.0       5.5
          65.0      14.9
          66.0       1.0
          74.0       1.3
          75.0       1.1
          76.0       4.0
          77.0       1.4
          92.0       3.0
          93.0      26.8
          94.0       1.9
         191.0       3.2
         203.0       2.1
         219.0       1.4
         220.0      90.8
         221.0       6.1
         248.0     100.0
         249.0       8.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H9 I O 0.04 ml : 0.5 ml CDCl3
    p-iodophenetole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.523 B 6.655 C 3.968 D 1.387 J(A,B)=9.0HZ J(C,D)=7.0HZ

         Hz     ppm     Int.
    

        681.81   7.613     49
        678.63   7.578    479
        677.94   7.570    162
        676.44   7.553    146
        671.88   7.503    166
        669.63   7.477    576
        666.50   7.442     60
        603.19   6.736     58
        600.06   6.701    489
        597.81   6.675    138
        593.19   6.624    134
        591.00   6.599    388
        366.38   4.091    119
        359.38   4.013    402
        352.38   3.935    428
        345.50   3.858    148
        131.13   1.465    481
        124.19   1.387   1000
        117.13   1.308    429
    

in CDCl3

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KBr disc

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nujol mull

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