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Back ChemicalBook Home>CAS DataBase List>2163-00-0More Spectrum> 1,6-Dichlorohexane(2163-00-0) 13C NMR

1,6-Dichlorohexane(2163-00-0) 13C NMR

Product Name1,6-Dichlorohexane

CAS2163-00-0

Molecular FormulaC6H12Cl2

Molecular Weight155.07

InChIInChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2

InChIKey OVISMSJCKCDOPU-UHFFFAOYSA-N

SmilesC(Cl)CCCCCCl


  • Mass

    MS-NW-1037          
    1,6-dichlorohexane
    C6H12Cl2            (Mass of molecular ion:    154)
    

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

          15.0       1.0
          18.0       4.4
          26.0       2.8
          27.0      28.0
          28.0       3.9
          29.0      20.4
          36.0       1.2
          38.0       1.6
          39.0      20.8
          40.0       3.6
          41.0      82.0
          42.0      29.0
          43.0      15.3
          49.0       8.0
          50.0       1.2
          51.0       2.6
          53.0       7.7
          54.0      13.2
          55.0     100.0
          56.0      49.1
          57.0       2.7
          61.0       1.1
          62.0       3.1
          63.0       9.6
          64.0       1.2
          65.0       3.0
          67.0      38.2
          68.0       3.5
          69.0      69.0
          70.0       3.9
          75.0       3.2
          76.0       6.1
          77.0       3.8
          78.0       2.0
          79.0       1.5
          80.0       2.0
          81.0       6.2
          82.0      65.7
          83.0      17.3
          84.0       1.1
          89.0       1.3
          90.0      14.4
          91.0      12.9
          92.0       4.9
          93.0       4.0
         118.0       6.1
         120.0       2.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H12 Cl2 0.04 ml : 0.5 ml CDCl3
    1,6-dichlorohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.536 B 1.80 C 1.49

         Hz     ppm     Int.
    

        323.88   3.617    374
        317.44   3.545   1000
        310.94   3.472    602
        161.25   1.801    192
        160.38   1.791    195
        154.75   1.728    179
        139.56   1.559    163
        137.94   1.541    227
        135.00   1.508    206
        133.81   1.495    200
        132.44   1.479    206
        131.44   1.468    225
        130.75   1.460    198
        129.56   1.447    162
        128.31   1.433    132
        127.06   1.419    154
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



1,6-Dichlorohexane(2163-00-0) 13C NMR Atlas of Related Products

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