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

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

¹H NMR	89.56 MHz
C₈ H₉ I O	0.04 ml : 0.5 ml CDCl₃
p-iodophenetole

    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