16355-92-3

1,10-二碘癸烷(16355-92-3)质谱(MS)

产品名称:1,10-二碘癸烷

CAS:16355-92-3

分子式:C10H20I2

分子量: 394.07

InChI:InChI=1S/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2

InChIKey: CKJCTZAIDVFHCX-UHFFFAOYSA-N

Smiles:C(I)CCCCCCCCCI

Mass

MS-NW-8546          
1,10-diiododecane
C10H20I2            (Mass of molecular ion:    394)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0      19.0
      28.0       2.9
      29.0      24.6
      39.0      13.8
      40.0       2.5
      41.0      77.8
      42.0      10.2
      43.0      79.8
      44.0       2.7
      53.0       4.9
      54.0       3.1
      55.0     100.0
      56.0       8.7
      57.0      78.0
      58.0       3.5
      67.0       4.7
      68.0       1.6
      69.0      55.0
      70.0       5.1
      71.0      44.8
      72.0       2.5
      81.0       2.8
      83.0      60.2
      84.0       4.4
      85.0      15.7
      86.0       1.1
      91.0       1.6
      97.0      25.4
      98.0       2.1
      99.0       1.6
     107.0       1.2
     109.0       1.0
     127.0       1.5
     128.0       1.4
     135.0       3.2
     137.0       2.9
     139.0       8.8
     140.0       1.0
     141.0       1.1
     149.0       1.6
     151.0       1.5
     155.0      15.8
     163.0       2.1
     165.0       2.1
     169.0       9.0
     177.0       1.3
     179.0       1.2
     183.0       9.6
     197.0       7.2
     211.0       7.3
     225.0       3.7
     267.0       6.3
     394.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₂₀ I₂	0.05 ml : 0.5 ml CDCl₃
1,10-diiododecane

    Assign.     Shift(ppm)

      A             3.178
      B             1.82
      C             1.40
      D             1.29

     Hz     ppm     Int.

    292.25   3.264    104
    285.31   3.186    257
    278.44   3.109    152
    169.69   1.895     74
    169.25   1.890     73
    168.94   1.887     72
    168.25   1.879     71
    163.00   1.821    121
    156.44   1.747    103
    156.13   1.744    102
    151.38   1.691     46
    150.63   1.682     46
    150.25   1.678     46
    149.75   1.673     46
    144.31   1.612     24
    143.94   1.608     23
    143.31   1.601     23
    142.75   1.594     23
    115.94   1.295   1000

in CDCl3