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Back ChemicalBook Home>CAS DataBase List>629-78-7More Spectrum> n-Heptadecane(629-78-7) 13C NMR

n-Heptadecane(629-78-7) 13C NMR

Product Namen-Heptadecane

CAS629-78-7

Molecular FormulaC17H36

Molecular Weight240.47

InChIInChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

InChIKey NDJKXXJCMXVBJW-UHFFFAOYSA-N

SmilesCCCCCCCCCCCCCCCCC


  • Mass

    MS-NW-2741          
    n-heptadecane
    C17H36              (Mass of molecular ion:    240)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       4.3
          29.0      12.1
          39.0       2.6
          41.0      21.2
          42.0       5.9
          43.0      64.7
          44.0       2.1
          54.0       1.2
          55.0      13.6
          56.0      11.7
          57.0     100.0
          58.0       4.3
          67.0       1.1
          68.0       1.2
          69.0       7.5
          70.0       9.8
          71.0      64.1
          72.0       3.5
          82.0       1.3
          83.0       5.4
          84.0       7.0
          85.0      44.7
          86.0       2.9
          97.0       4.0
          98.0       5.2
          99.0      11.1
         111.0       1.9
         112.0       3.8
         113.0       7.2
         126.0       2.8
         127.0       5.4
         140.0       2.2
         141.0       4.3
         154.0       1.6
         155.0       3.6
         168.0       1.2
         169.0       3.1
         183.0       2.7
         197.0       1.6
         240.0       4.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C17 H36 0.045 g : 0.5 ml CDCl3
    N-heptadecane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.26 B 0.88

         Hz     ppm     Int.
    

        112.81   1.260   1000
         83.81   0.936     33
         82.94   0.927     31
         82.38   0.920     30
         82.06   0.917     30
         78.81   0.880     77
         72.75   0.813     21
    

in CDCl3



liquid film



4880 A,200 M,liquid



n-Heptadecane(629-78-7) 13C NMR Atlas of Related Products

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