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544-77-4

碘十六烷(544-77-4)Raman光谱

产品名称:碘十六烷

CAS:544-77-4

分子式:C16H33I

分子量: 352.34

InChI:InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey: KMWHQYDMBYABKL-UHFFFAOYSA-N

Smiles:C(I)CCCCCCCCCCCCCCC

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    Mass

    MS-IW-1296          
    1-iodohexadecane
    C16H33I             (Mass of molecular ion:    352)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       3.1
          29.0       8.3
          39.0       2.4
          41.0      22.7
          42.0       5.0
          43.0      57.0
          44.0       1.7
          53.0       1.1
          54.0       1.7
          55.0      24.1
          56.0       8.0
          57.0     100.0
          58.0       5.0
          67.0       2.0
          68.0       1.3
          69.0      13.9
          70.0       5.8
          71.0      82.2
          72.0       4.6
          82.0       1.4
          83.0       8.7
          84.0       3.1
          85.0      57.2
          86.0       3.9
          97.0       5.8
          98.0       1.7
          99.0      19.7
         100.0       1.5
         111.0       2.6
         112.0       1.1
         113.0      12.5
         114.0       1.1
         125.0       1.0
         127.0       9.2
         128.0       1.0
         135.0       1.3
         137.0       1.2
         141.0       7.4
         155.0       5.9
         169.0       4.0
         183.0       1.8
         224.0       1.0
         225.0      17.6
         226.0       3.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C16 H33 I 0.056 g : 0.5 ml CDCl3
    1-iodohexadecane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.183 B 1.817 C 1.38 D 1.30 E 1.26 F 0.862

         Hz     ppm     Int.
    

       1279.30   3.202    106
       1272.22   3.184    215
       1265.14   3.166    110
        734.13   1.837     53
        726.93   1.819     68
        719.60   1.801     62
        712.40   1.783     26
        559.57   1.401     24
        552.25   1.382     36
        545.29   1.365     29
        526.73   1.318     35
        519.41   1.300     66
        502.56   1.258   1000
        358.40   0.897     72
        351.68   0.880    231
        344.60   0.863     91
    

in CDCl3

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liquid film

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