2-碘芐醇(5159-41-1)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):2-碘芐醇

CAS:5159-41-1

分子式:C7H7IO

分子量: 234.03

InChI:InChI=1S/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2

InChIKey: WZCXOBMFBKSSFA-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC=C1I

Mass

MS-NW-6613          
o-iodobenzyl alcohol
C7H7IO              (Mass of molecular ion:    234)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.5
      27.0       5.0
      28.0       1.5
      29.0       4.6
      31.0       3.3
      37.0       2.1
      38.0       3.2
      39.0       9.3
      40.0       1.0
      49.0       1.7
      50.0      17.0
      51.0      23.5
      52.0       7.0
      53.0       5.1
      61.0       1.6
      62.0       3.8
      63.0       6.7
      64.0       1.7
      73.0       1.3
      74.0       6.1
      75.0       4.5
      76.0      11.5
      77.0      59.1
      78.0      42.5
      79.0      72.2
      80.0       4.9
      89.0       9.0
      90.0       8.2
      91.0       1.5
     104.0       1.6
     105.0      34.8
     106.0       5.6
     107.0      37.2
     108.0       3.4
     127.0       5.9
     128.0       2.8
     203.0       3.3
     205.0       2.1
     217.0       3.3
     218.0       1.1
     231.0       1.9
     232.0       1.2
     233.0       5.8
     234.0     100.0
     235.0       8.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₇ I O	0.039 g : 0.5 ml CDCl₃
o-iodobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.804
      B             7.44
      C             7.35
      D             6.98
      E             4.649
      F             2.15

     Hz     ppm     Int.

    703.50   7.856    158
    702.44   7.844    140
    695.88   7.770    178
    694.81   7.759    188
    664.50   7.420    343
    663.38   7.408    319
    662.88   7.402    252
    662.38   7.396    240
    657.94   7.347    220
    656.75   7.334    205
    649.19   7.249    161
    633.06   7.069    112
    630.50   7.040     96
    626.44   6.995     85
    625.25   6.982     97
    623.88   6.967     86
    416.44   4.650   1000
    192.81   2.153    325

in CDCl3