4292-19-7

1-碘十二烷(4292-19-7)紅外圖譜(IR1)

產(chǎn)品名稱:1-碘十二烷

CAS:4292-19-7

分子式:C12H25I

分子量: 296.23

InChI:InChI=1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3

InChIKey: GCDPERPXPREHJF-UHFFFAOYSA-N

Smiles:C(I)CCCCCCCCCCC

Mass

MS-IW-4528          
1-iodododecane
C12H25I             (Mass of molecular ion:    296)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       8.0
      28.0       2.9
      29.0      16.2
      39.0       7.0
      40.0       1.4
      41.0      44.3
      42.0       9.9
      43.0      83.6
      44.0       3.9
      53.0       2.8
      54.0       2.4
      55.0      35.5
      56.0      11.0
      57.0     100.0
      58.0       7.5
      67.0       2.4
      68.0       1.2
      69.0      15.7
      70.0       5.9
      71.0      90.1
      72.0       5.5
      83.0       6.0
      84.0       2.2
      85.0      61.8
      86.0       4.0
      97.0       2.9
      98.0       1.0
      99.0      17.8
     100.0       1.4
     113.0      12.8
     114.0       1.1
     127.0       5.6
     128.0       3.1
     135.0       5.8
     137.0       5.7
     149.0       1.0
     151.0       1.0
     155.0       6.2
     169.0      18.1
     170.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₅ I	0.05 ml : 0.5 ml CDCl₃
1-iodododecane

    Assign.     Shift(ppm)

      A             3.178
      B             1.816
      C             1.38
      D          1.31 to 1.28
      E             1.26
      F             0.879

     Hz     ppm     Int.

   1277.34   3.197    253
   1270.26   3.179    487
   1263.18   3.161    268
    740.84   1.854     47
    733.89   1.837    134
    726.68   1.819    170
    719.24   1.800    156
    712.04   1.782     66
    559.81   1.401     64
    552.73   1.384     90
    545.53   1.366     77
    539.06   1.349     41
    533.94   1.337     36
    533.69   1.336     36
    519.53   1.300    176
    504.64   1.263   1000
    361.82   0.906     22
    358.52   0.898    170
    351.81   0.881    502
    344.73   0.863    212

in CDCl3