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112-40-3

十二烷(112-40-3)紅外圖譜(IR1)

產(chǎn)品名稱:十二烷

CAS:112-40-3

分子式:C12H26

分子量: 170.33

InChI:InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey: SNRUBQQJIBEYMU-UHFFFAOYSA-N

Smiles:CCCCCCCCCCCC

  • 圖譜
    Mass 

    MS-NW-2010          
dodecane
C12H26              (Mass of molecular ion:    170)


       Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          27.0       7.6
      28.0       2.2
      29.0      16.0
      39.0       4.1
      41.0      23.4
      42.0       8.6
      43.0      77.9
      44.0       2.6
      55.0      10.2
      56.0      13.5
      57.0     100.0
      58.0       4.7
      69.0       4.6
      70.0      11.0
      71.0      51.5
      72.0       3.0
      83.0       2.1
      84.0       7.3
      85.0      30.4
      86.0       2.0
      97.0       1.0
      98.0       5.6
      99.0       6.6
     112.0       3.3
     113.0       5.8
     126.0       1.6
     127.0       4.2
     141.0       2.2
     170.0       6.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C12 H26 0.04 ml : 0.5 ml CDCl3
    dodecane
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             1.27
      B             0.88
  

         Hz     ppm     Int.


        113.00   1.262   1000
     84.06   0.939     41
     82.25   0.919     33
     81.81   0.914     32
     81.44   0.910     32
     78.88   0.881    135
     72.81   0.813     29

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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