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593-45-3

正十八烷(593-45-3)紅外圖譜(IR3)

產(chǎn)品名稱:正十八烷

CAS:593-45-3

分子式:C18H38

分子量: 254.49

InChI:InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChIKey: RZJRJXONCZWCBN-UHFFFAOYSA-N

Smiles:CCCCCCCCCCCCCCCCCC

  • 圖譜
    Mass 

    MS-NW-1995          
octadecane
C18H38              (Mass of molecular ion:    254)


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


          27.0       4.3
      29.0      12.4
      39.0       2.2
      41.0      20.4
      42.0       5.8
      43.0      61.4
      44.0       2.0
      54.0       1.4
      55.0      13.8
      56.0      11.9
      57.0     100.0
      58.0       4.4
      67.0       1.2
      68.0       1.4
      69.0       7.7
      70.0      10.4
      71.0      66.8
      72.0       3.5
      82.0       1.9
      83.0       6.0
      84.0       7.2
      85.0      44.2
      86.0       2.9
      96.0       1.0
      97.0       5.0
      98.0       5.5
      99.0      14.3
     100.0       1.1
     111.0       2.5
     112.0       4.2
     113.0       9.4
     125.0       1.2
     126.0       3.4
     127.0       7.1
     140.0       2.7
     141.0       5.6
     154.0       1.9
     155.0       4.4
     168.0       1.5
     169.0       3.8
     182.0       1.1
     183.0       3.1
     197.0       2.5
     211.0       1.5
     254.0       4.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C18 H38 0.042 g : 0.5 ml CDCl3
    octadecane
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             1.26
      B             0.88
  

         Hz     ppm     Int.


        112.69   1.259   1000
     78.88   0.881     62

in CDCl3

  • 圖譜

CCl4 solution

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KBr disc

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nujol mull

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