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Back ChemicalBook Home>CAS DataBase List>638-45-9More Spectrum> 1-Iodohexane(638-45-9) IR1

638-45-9

1-Iodohexane(638-45-9) IR1

Product Name1-Iodohexane

CAS638-45-9

Molecular FormulaC6H13I

Molecular Weight212.07

InChIInChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3

InChIKey ANOOTOPTCJRUPK-UHFFFAOYSA-N

SmilesC(I)CCCCC

  • 1-Iodohexane(638-45-9) IR1
    Mass

    MS-NW-1227          
    1-iodohexane
    C6H13I              (Mass of molecular ion:    212)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0      14.4
          28.0       3.4
          29.0      15.2
          39.0       6.6
          40.0       1.1
          41.0      25.1
          42.0       3.4
          43.0     100.0
          44.0       3.2
          53.0       1.0
          55.0       6.3
          56.0       2.1
          57.0      10.7
          85.0      49.9
          86.0       3.4
         155.0       1.8
         212.0       4.5
    

90 MHz in CDCl3

  • 1-Iodohexane(638-45-9) IR1

    1H NMR 89.56 MHz
    C6 H13 I 0.04 ml : 0.5 ml CDCl3
    1-iodohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.183 B 1.83 C 1.50 to 1.15 D 0.90

         Hz     ppm     Int.
    

        292.69   3.269    381
        285.69   3.190   1000
        278.63   3.112    573
        170.00   1.899     92
        169.19   1.890     99
        168.25   1.879     87
        166.44   1.859     76
        163.00   1.821    163
        156.50   1.748    154
        154.25   1.723     65
        150.94   1.686     50
        150.63   1.682     50
        149.81   1.673     58
        134.50   1.502     35
        131.25   1.466    107
        130.63   1.459    107
        130.31   1.456    107
        129.44   1.446    103
        126.94   1.418    157
        124.94   1.396    185
        120.25   1.343    531
        118.56   1.324    559
        115.69   1.292    745
        112.25   1.254    174
        111.94   1.250    174
        111.50   1.245    175
        108.63   1.213    133
        104.63   1.169     54
        102.69   1.147     37
         87.44   0.977    134
         85.63   0.957    223
         82.69   0.924    187
         80.13   0.895    835
         76.63   0.856    129
         74.13   0.828    144
         73.25   0.818    142
         70.88   0.792     53
         70.13   0.784     57
         70.00   0.782     57
    

in CDCl3

  • 1-Iodohexane(638-45-9) IR1

CCl4 solution

  • 1-Iodohexane(638-45-9) IR1

liquid film

  • 1-Iodohexane(638-45-9) IR1

  • 1-Iodohexane(638-45-9) IR1

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