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540-84-1

2,2,4-三甲基戊烷(540-84-1)质谱(MS)

分子式:C8H18

分子量: 114.23

InChI:InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

InChIKey: NHTMVDHEPJAVLT-UHFFFAOYSA-N

Smiles:CC(C)(C)CC(C)C

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    Mass

    MS2016-05310CW      
    2,2,4-trimethylpentane
    C8H18               (Mass of molecular ion:    114)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          27.0       6.5
          29.0      11.7
          39.0       7.7
          40.0       1.8
          41.0      33.7
          42.0       2.1
          43.0      27.2
          44.0       1.1
          53.0       1.6
          55.0       5.5
          56.0      46.6
          57.0     100.0
          58.0       7.0
          71.0       1.6
          83.0       1.4
          99.0      10.4
    

90 MHz in CDCl3

in CDCl3

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    1H NMR 89.56 MHz
    C8 H18 0.04 ml : 0.5 ml CDCl3
    2,2,4-trimethylpentane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.659 B 1.122 C 0.907 D 0.891 J(A,C) = 6.6 HZ. J(A,B) = 5.4 HZ.

         Hz     ppm     Int.
    

        103.00   1.151     92
         97.75   1.092     71
         84.31   0.942    268
         81.94   0.915     32
         79.94   0.893   1000
         77.94   0.871    235
    

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in CDCl3

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CCl4 solution

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liquid film

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4880 A,150M,liquid

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