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Back ChemicalBook Home>CAS DataBase List>111-64-8More Spectrum> Octanoyl chloride(111-64-8) 1H NMR

Octanoyl chloride(111-64-8) 1H NMR

Product NameOctanoyl chloride

CAS111-64-8

Molecular FormulaC8H15ClO

Molecular Weight162.66

InChIInChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

InChIKey REEZZSHJLXOIHL-UHFFFAOYSA-N

SmilesC(Cl)(=O)CCCCCCC


  • Mass

    MS-NW-1042          
    octanoyl chloride
    C8H15ClO            (Mass of molecular ion:    162)
    

       Source Temperature: 250 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          15.0       2.5
          26.0       4.1
          27.0      51.8
          28.0       7.3
          29.0      52.0
          30.0       1.2
          35.0       1.5
          36.0       8.7
          38.0       2.7
          39.0      33.0
          40.0       6.4
          41.0      97.4
          42.0      45.7
          43.0      90.4
          44.0       3.3
          45.0       1.1
          50.0       1.6
          51.0       2.3
          52.0       1.1
          53.0       6.6
          54.0       5.9
          55.0     100.0
          56.0      40.5
          57.0      73.1
          58.0       4.5
          59.0       1.1
          60.0       8.8
          61.0       1.1
          63.0       3.7
          65.0       1.4
          67.0      17.4
          68.0       5.9
          69.0      34.3
          70.0      20.3
          71.0       4.5
          72.0       1.1
          73.0       5.9
          74.0       1.0
          77.0       2.4
          78.0      21.7
          79.0       4.7
          80.0       6.9
          81.0       2.5
          82.0      58.7
          83.0      27.5
          84.0      67.3
          85.0      26.5
          86.0       1.9
          87.0       1.4
          91.0      13.5
          92.0       1.1
          93.0       4.5
          95.0       1.2
          97.0      13.3
          98.0      57.5
          99.0       4.8
         101.0       1.8
         102.0       1.6
         105.0       3.4
         107.0       1.0
         108.0       2.6
         109.0       4.7
         111.0       3.4
         117.0       1.9
         119.0       2.3
         126.0       4.5
         127.0      54.9
         128.0       5.2
         133.0       1.7
         134.0       2.7
         136.0       1.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H15 Cl O 0.04 ml : 0.5 ml CDCl3
    octanoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.875 B 1.71 C 1.52 to 1.15 D 0.89

         Hz     ppm     Int.
    

        265.50   2.965    259
        262.81   2.935     42
        258.25   2.884    678
        256.31   2.862     84
        255.81   2.857     60
        255.06   2.848     46
        251.25   2.806    421
        250.88   2.802    452
        153.06   1.710    159
        116.88   1.306   1000
        114.50   1.279    980
         84.50   0.944    214
         79.38   0.887    718
         73.38   0.820    138
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



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