544-77-4

碘十六烷(544-77-4)核磁圖(¹³CNMR)

產(chǎn)品名稱: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

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

¹H NMR	399.65 MHz
C₁₆ H₃₃ I	0.056 g : 0.5 ml CDCl₃
1-iodohexadecane

    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