112-82-3

溴代十六烷(112-82-3)质谱(MS)

产品名称:溴代十六烷

CAS:112-82-3

分子式:C16H33Br

分子量: 305.34

InChI:InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey: HNTGIJLWHDPAFN-UHFFFAOYSA-N

Smiles:C(Br)CCCCCCCCCCCCCCC

Mass

MS-NW-8345          
1-bromohexadecane
C16H33Br            (Mass of molecular ion:    304)

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

      18.0       1.5
      27.0       5.0
      28.0       1.8
      29.0      12.5
      39.0       3.4
      41.0      28.9
      42.0       7.4
      43.0      69.7
      44.0       2.4
      53.0       1.5
      54.0       2.1
      55.0      36.2
      56.0      13.3
      57.0     100.0
      58.0       4.5
      67.0       2.5
      68.0       2.0
      69.0      34.0
      70.0       9.8
      71.0      59.1
      72.0       3.2
      81.0       1.2
      82.0       2.2
      83.0      20.1
      84.0       5.4
      85.0      35.0
      86.0       2.4
      97.0      12.5
      98.0       3.0
      99.0       9.7
     111.0       4.9
     112.0       1.6
     113.0       5.6
     125.0       1.4
     127.0       3.6
     135.0      41.7
     136.0       2.0
     137.0      40.5
     138.0       1.7
     141.0       2.6
     149.0       8.5
     150.0       1.2
     151.0       8.2
     155.0       2.1
     163.0       1.6
     165.0       1.6
     169.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₃₃ Br	0.04 ml : 0.5 ml CDCl₃
1-bromohexadecane

    Assign.     Shift(ppm)

      A             3.40
      B             1.86
      C             1.50
      D          1.48 to 1.06
      E             0.89

     Hz     ppm     Int.

    311.31   3.476     35
    304.56   3.401     86
    297.81   3.326     51
    112.94   1.262   1000
     78.88   0.881     64

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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