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111-65-9

正辛烷(111-65-9)質(zhì)譜(MS)

產(chǎn)品名稱:正辛烷

CAS:111-65-9

分子式:C8H18

分子量: 114.23

InChI:InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

InChIKey: TVMXDCGIABBOFY-UHFFFAOYSA-N

Smiles:CCCCCCCC

  • 圖譜
    Mass 

    MS-NW-0660          
octane
C8H18               (Mass of molecular ion:    114)


       Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          26.0       1.2
      27.0      20.1
      28.0       4.4
      29.0      27.4
      39.0      12.3
      40.0       2.1
      41.0      43.8
      42.0      15.3
      43.0     100.0
      44.0       3.2
      53.0       1.9
      55.0      11.4
      56.0      18.4
      57.0      33.5
      58.0       1.5
      69.0       1.6
      70.0      12.1
      71.0      20.4
      72.0       1.0
      84.0       7.1
      85.0      26.5
      86.0       1.8
     114.0       6.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H18 0.04 ml : 0.5 ml CDCl3
    octane
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             1.26
      B             0.88
  

         Hz     ppm     Int.


        113.19   1.264   1000
     84.38   0.943    111
     82.00   0.916     88
     79.06   0.883    366
     72.94   0.815     77

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,100M,liquid

  • 圖譜

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