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Back ChemicalBook Home>CAS DataBase List>112-92-5More Spectrum> 1-Octadecanol(112-92-5) MS

1-Octadecanol(112-92-5) MS

Product Name1-Octadecanol

CAS112-92-5

Molecular FormulaC18H38O

Molecular Weight270.49

InChIInChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

InChIKey GLDOVTGHNKAZLK-UHFFFAOYSA-N

SmilesC(O)CCCCCCCCCCCCCCCCC


  • Mass

    MS-NW-6839          
    1-octadecanol
    C18H38O             (Mass of molecular ion:    270)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       2.5
          27.0      11.5
          28.0       3.2
          29.0      33.6
          31.0      13.0
          39.0       7.5
          40.0       1.8
          41.0      73.2
          42.0      19.1
          43.0     100.0
          44.0       3.7
          45.0       2.1
          53.0       4.0
          54.0      10.3
          55.0      94.8
          56.0      51.3
          57.0      92.8
          58.0       4.0
          66.0       1.5
          67.0      14.4
          68.0      40.4
          69.0      82.4
          70.0      50.3
          71.0      43.6
          72.0       2.6
          73.0       2.0
          81.0       8.2
          82.0      51.5
          83.0      97.4
          84.0      36.1
          85.0      25.2
          86.0       1.7
          95.0       4.4
          96.0      18.7
          97.0      76.1
          98.0      23.6
          99.0       6.9
         109.0       1.7
         110.0       8.3
         111.0      40.4
         112.0      16.7
         113.0       4.6
         123.0       1.0
         124.0       5.3
         125.0      23.3
         126.0      11.1
         127.0       2.7
         138.0       3.9
         139.0      10.8
         140.0       8.7
         141.0       1.8
         152.0       2.5
         153.0       6.3
         154.0       5.8
         155.0       1.2
         166.0       1.6
         167.0       4.0
         168.0       5.1
         169.0       1.4
         180.0       1.1
         181.0       2.6
         182.0       3.4
         195.0       1.5
         196.0       3.3
         210.0       1.0
         224.0       7.9
         225.0       1.4
         252.0      10.4
         253.0       2.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C18 H38 O 0.048 g : 0.5 ml CDCl3
    1-octadecanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.625 B 1.56 C 1.55 D 1.26 E 0.89

         Hz     ppm     Int.
    

        325.00   3.629     59
        318.63   3.558     27
        138.38   1.546    157
        124.19   1.387     21
        112.75   1.259   1000
         78.81   0.880     53
    

in CDCl3



CCl4 solution



KBr disc



Nujol





1-Octadecanol(112-92-5) MS Atlas of Related Products

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