24772-63-2

1,8-二碘辛烷(24772-63-2)質(zhì)譜(MS)

產(chǎn)品名稱:1,8-二碘辛烷

CAS:24772-63-2

分子式:C8H16I2

分子量: 366.02

InChI:InChI=1S/C8H16I2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

InChIKey: KZDTZHQLABJVLE-UHFFFAOYSA-N

Smiles:C(I)CCCCCCCI

Mass

MS-NW-7537          
1,8-diiodooctane
C8H16I2             (Mass of molecular ion:    366)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.4
      26.0       2.0
      27.0      33.5
      28.0       5.6
      29.0      29.9
      38.0       1.1
      39.0      24.9
      40.0       4.6
      41.0     100.0
      42.0      11.8
      43.0      43.4
      44.0       1.6
      51.0       1.8
      52.0       1.0
      53.0       6.7
      54.0       3.6
      55.0      87.7
      56.0       9.7
      57.0      29.2
      58.0       1.3
      67.0       4.4
      68.0       1.2
      69.0      82.5
      70.0       5.4
      71.0      13.8
      81.0       1.5
      83.0       6.8
     111.0      47.9
     112.0       4.7
     127.0       4.3
     128.0       3.4
     141.0       2.7
     155.0      33.8
     156.0       1.0
     169.0      17.8
     183.0      24.9
     184.0       1.3
     197.0      16.7
     198.0       1.1
     211.0       1.3
     239.0      23.5
     240.0       2.4
     366.0       9.6
     367.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ I₂	0.05 ml : 0.5 ml CDCl₃
1,8-diiodooctane

    Assign.     Shift(ppm)

      A             3.176
      B             1.80
      C             1.39
      D             1.31

     Hz     ppm     Int.

    292.31   3.264    395
    289.75   3.236     84
    285.44   3.188   1000
    281.69   3.146     97
    281.44   3.143     97
    278.56   3.111    596
    176.63   1.973     46
    175.06   1.955     59
    169.81   1.897    161
    168.56   1.883    154
    166.69   1.862    155
    162.88   1.819    256
    159.19   1.778    169
    156.50   1.748    213
    151.81   1.696     99
    150.44   1.680     95
    150.13   1.677     93
    149.81   1.673     93
    147.75   1.650     65
    146.81   1.640     57
    145.94   1.630     51
    145.63   1.627     50
    144.75   1.617     47
    144.31   1.612     47
    143.88   1.607     47
    143.19   1.599     48
    142.19   1.588     50
    141.75   1.583     52
    141.31   1.578     50
    140.38   1.568     53
    139.50   1.558     56
    139.00   1.553     57
    138.69   1.549     56
    138.00   1.541     59
    137.38   1.534     61
    136.38   1.523     66
    131.06   1.464    144
    120.44   1.345    862
    117.81   1.316    731
    108.63   1.213     70
    107.13   1.197     56

in CDCl3