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629-09-4

1,6-二碘己烷(629-09-4)核磁图(13CNMR)

产品名称:1,6-二碘己烷

CAS:629-09-4

分子式:C6H12I2

分子量: 337.97

InChI:InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2

InChIKey: QLIMAARBRDAYGQ-UHFFFAOYSA-N

Smiles:C(I)CCCCCI

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    Mass

    MS-IW-8666          
    1,6-diiodohexane
    C6H12I2             (Mass of molecular ion:    338)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0      17.3
          28.0       4.3
          29.0      10.8
          39.0      11.6
          40.0       2.5
          41.0      50.4
          42.0       5.0
          43.0      18.6
          53.0       3.4
          54.0       2.0
          55.0      85.0
          56.0       6.9
          57.0       4.5
          67.0       2.1
          69.0       1.0
          81.0       4.3
          83.0     100.0
          84.0       8.1
         105.5       1.5
         127.0       4.7
         128.0       3.9
         141.0       3.5
         154.0       1.3
         155.0      59.5
         156.0       1.3
         169.0      44.9
         170.0       1.4
         183.0      11.8
         209.0       2.2
         210.0       1.8
         211.0      89.2
         212.0       5.9
         254.0       1.5
         338.0      38.3
         339.0       2.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 I2 0.05 ml : 0.5 ml CDCl3
    1,6-diiodohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.192 B 1.84 C 1.43

         Hz     ppm     Int.
    

        292.81   3.270    410
        285.94   3.193   1000
        279.13   3.117    607
        179.63   2.006     36
        178.13   1.989     54
        176.94   1.976     57
        175.81   1.964     65
        171.31   1.913    180
        170.75   1.907    178
        165.00   1.843    252
        164.19   1.834    254
        158.25   1.767    218
        152.69   1.705     95
        151.38   1.691    103
        148.75   1.661     54
        148.44   1.658     53
        144.69   1.616     48
        143.56   1.603     43
        141.06   1.576     64
        138.88   1.551     67
        133.88   1.495    249
        130.56   1.458    277
        129.63   1.448    287
        127.00   1.419    365
        124.25   1.388    216
        123.06   1.375    244
        120.69   1.348    127
        119.50   1.335    128
    

in CDCl3

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liquid film

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