(Diacetoxyiodo)benzene(3240-34-4) IR2

Product Name(Diacetoxyiodo)benzene

CAS 3240-34-4

Molecular FormulaC10H11IO4

Molecular Weight322.1

InChIInChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3

InChIKey ZBIKORITPGTTGI-UHFFFAOYSA-N

SmilesI(C1C=CC=CC=1)(OC(=O)C)OC(=O)C

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(Diacetoxyiodo)benzene(3240-34-4) IR2
Mass

MS-NW-6651          
(diacetoxyiodo)benzene
C10H11IO4           (Mass of molecular ion:    322)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       3.9
      27.0       1.2
      28.0       1.0
      38.0       1.0
      39.0       1.5
      42.0       1.4
      43.0      11.3
      44.0       4.7
      45.0       4.4
      50.0      10.4
      51.0      22.7
      52.0       1.1
      60.0       3.8
      63.0       1.3
      65.0       2.2
      74.0       3.7
      75.0       2.3
      76.0       4.1
      77.0      73.5
      78.0       5.1
      94.0       3.6
     102.0       1.9
     107.0       3.4
     109.0       1.4
     122.0       2.5
     124.0       1.1
     127.0       2.3
     166.0       2.7
     168.0       1.3
     204.0     100.0
     205.0       6.8
     263.0      41.1
     264.0       3.8

400 MHz in DMSO-d6

(Diacetoxyiodo)benzene(3240-34-4) IR2

¹H NMR	399.65 MHz
C₁₀ H₁₁ I O₄	0.040 g : 0.5 ml DMSO-d₆
(diacetoxyiodo)benzene

    Assign.     Shift(ppm)

      A             8.238
      B             7.675
      C             7.575
      D             1.916

     Hz     ppm     Int.

   3297.12   8.251     79
   3296.02   8.248     86
   3290.65   8.234     25
   3288.82   8.230    100
   3287.60   8.227     79
   3076.17   7.698     20
   3068.73   7.679     54
   3062.50   7.663     24
   3061.40   7.661     40
   3060.30   7.658     22
   3034.18   7.593     75
   3032.71   7.589     34
   3026.37   7.573    111
   3018.92   7.554     51
    765.87   1.917   1000

in DMSO-d6