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Back ChemicalBook Home>CAS DataBase List>565-75-3More Spectrum> 2,3,4-TRIMETHYLPENTANE(565-75-3) 1H NMR

2,3,4-TRIMETHYLPENTANE(565-75-3) 1H NMR

Molecular FormulaC8H18

Molecular Weight114.23

InChIInChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3

InChIKey RLPGDEORIPLBNF-UHFFFAOYSA-N

SmilesCC(C)C(C)C(C)C


  • Mass

    MS-NW-1359          
    2,3,4-trimethylpentane
    C8H18               (Mass of molecular ion:    114)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.0
          18.0       1.4
          27.0       8.9
          28.0       2.5
          29.0       8.3
          39.0       6.1
          41.0      17.3
          42.0       7.1
          43.0     100.0
          44.0       3.5
          53.0       1.5
          55.0      15.3
          56.0       1.7
          57.0      17.3
          58.0       1.1
          69.0       1.1
          70.0      42.4
          71.0      65.6
          72.0       3.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H18 0.04 ml : 0.5 ml CDCl3
    2,3,4-trimethylpentane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.639 B 0.97 C *1 0.882 D *1 0.798 E 0.737 J(A,C)=6.7 HZ. J(A,D)=6.7 HZ. J(B,E)=6.8 HZ.

         Hz     ppm     Int.
    

        157.88   1.763     24
        157.00   1.754     30
        151.25   1.689     55
        150.31   1.679     48
        145.31   1.623     47
        144.50   1.614     69
        137.94   1.541     54
        131.44   1.468     32
         90.25   1.008     30
         89.31   0.998     35
         82.13   0.918    808
         78.06   0.872     73
         74.63   0.834   1000
         71.25   0.796     59
         68.19   0.762    946
         63.19   0.706    137
         62.69   0.700    131
         62.00   0.693    129
         60.38   0.675     63
         59.25   0.662     26
    

in CDCl3



CCl4 solution



liquid film





2,3,4-TRIMETHYLPENTANE(565-75-3) 1H NMR Atlas of Related Products

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