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Back ChemicalBook Home>CAS DataBase List>557-61-9More Spectrum> 1-Octacosanol (557-61-9) 1H NMR

1-Octacosanol (557-61-9) 1H NMR

Product Name1-Octacosanol

CAS557-61-9

Molecular FormulaC28H58O

Molecular Weight410.76

InChIInChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3

InChIKey CNNRPFQICPFDPO-UHFFFAOYSA-N

SmilesC(O)CCCCCCCCCCCCCCCCCCCCCCCCCCC


  • Mass

    MS-NW-7939          
    1-octacosanol
    C28H58O             (Mass of molecular ion:    410)
    

       Source Temperature: 190 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       5.3
          27.0       2.9
          28.0       1.2
          29.0      13.4
          31.0       3.2
          39.0       2.1
          41.0      35.7
          42.0       9.1
          43.0      82.2
          44.0       3.0
          53.0       1.3
          54.0       7.6
          55.0      71.6
          56.0      32.3
          57.0     100.0
          58.0       4.8
          66.0       1.5
          67.0      12.7
          68.0      30.2
          69.0      65.5
          70.0      30.3
          71.0      52.0
          72.0       3.1
          73.0       1.2
          80.0       1.0
          81.0      11.1
          82.0      44.9
          83.0      78.6
          84.0      21.9
          85.0      33.0
          86.0       2.4
          95.0       7.1
          96.0      22.0
          97.0      75.9
          98.0      15.5
          99.0      10.6
         109.0       3.5
         110.0       9.4
         111.0      43.1
         112.0      11.3
         113.0       7.2
         123.0       2.6
         124.0       6.6
         125.0      24.5
         126.0       8.3
         127.0       4.9
         137.0       1.9
         138.0       5.5
         139.0      14.3
         140.0       6.2
         141.0       3.7
         152.0       3.7
         153.0      10.2
         154.0       4.9
         155.0       3.0
         166.0       3.1
         167.0       7.5
         168.0       4.3
         169.0       2.1
         180.0       2.5
         181.0       5.9
         182.0       3.5
         183.0       1.8
         194.0       2.2
         195.0       5.0
         196.0       3.1
         197.0       1.5
         208.0       2.5
         209.0       4.1
         210.0       2.7
         211.0       1.4
         222.0       2.1
         223.0       3.3
         224.0       2.4
         225.0       1.1
         236.0       1.9
         237.0       3.1
         238.0       2.2
         250.0       1.9
         251.0       2.7
         252.0       1.8
         264.0       1.7
         265.0       2.1
         266.0       1.7
         278.0       1.5
         279.0       2.0
         280.0       1.6
         292.0       1.3
         293.0       1.7
         294.0       1.5
         306.0       1.2
         307.0       1.4
         308.0       1.8
         320.0       1.0
         321.0       1.3
         322.0       1.4
         335.0       1.1
         336.0       1.1
         364.0       5.3
         365.0       1.6
         392.0      17.8
         393.0       6.0
         394.0       1.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C28 H58 O 0.046 g : 0.5 ml CDCl3 at 55C
    1-octacosanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.618 B 1.45 C 1.27 D 0.88

         Hz     ppm     Int.
    

        123.94   1.384     22
        113.56   1.268   1000
         78.94   0.882     23
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder



1-Octacosanol (557-61-9) 1H NMR Atlas of Related Products

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