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Back ChemicalBook Home>CAS DataBase List>593-45-3More Spectrum> Octadecane(593-45-3) IR2

593-45-3

Octadecane(593-45-3) IR2

Product NameOctadecane

CAS593-45-3

Molecular FormulaC18H38

Molecular Weight254.49

InChIInChI=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

SmilesCCCCCCCCCCCCCCCCCC

  • Octadecane(593-45-3) IR2
    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

  • Octadecane(593-45-3) IR2

    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

  • Octadecane(593-45-3) IR2

CCl4 solution

  • Octadecane(593-45-3) IR2

KBr disc

  • Octadecane(593-45-3) IR2

nujol mull

  • Octadecane(593-45-3) IR2

  • Octadecane(593-45-3) IR2

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