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Back ChemicalBook Home>CAS DataBase List>764-13-6More Spectrum> 2,5-Dimethyl-2,4-hexadiene(764-13-6) 13C NMR

2,5-Dimethyl-2,4-hexadiene(764-13-6) 13C NMR

Molecular FormulaC8H14

Molecular Weight110.2

InChIInChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3

InChIKey DZPCYXCBXGQBRN-UHFFFAOYSA-N

SmilesC/C(/C)=C\C=C(\C)/C


  • Mass

    MS-NW-1018          
    2,5-dimethyl-2,4-hexadiene
    C8H14               (Mass of molecular ion:    110)
    

       Source Temperature: 260 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          15.0       1.0
          18.0       1.1
          27.0      11.3
          29.0       7.8
          38.0       1.3
          39.0      18.4
          40.0       3.5
          41.0      33.1
          42.0       4.0
          43.0      12.0
          50.0       2.1
          51.0       5.1
          52.0       2.3
          53.0      14.1
          54.0       3.7
          55.0      32.2
          56.0       6.4
          57.0       2.3
          58.0       1.1
          59.0       1.1
          63.0       1.4
          65.0       4.6
          66.0       1.5
          67.0      47.5
          68.0      11.4
          69.0      12.6
          70.0       2.7
          71.0       1.6
          77.0       8.6
          78.0       1.8
          79.0       8.7
          80.0       3.6
          81.0      12.2
          82.0       2.0
          83.0       3.8
          84.0       4.5
          91.0       4.8
          93.0       8.3
          94.0       2.0
          95.0     100.0
          96.0       7.9
         109.0       3.1
         110.0      64.6
         111.0       6.1
         113.0       3.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H14 0.04 ml : 0.5 ml CDCl3
    2,5-dimethyl-2,4-hexadiene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.972 B *1 1.788 C *1 1.732

         Hz     ppm     Int.
    

        534.88   5.973    223
        160.13   1.788   1000
        155.13   1.733    961
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



2,5-Dimethyl-2,4-hexadiene(764-13-6) 13C NMR Atlas of Related Products

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