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1186-53-4

2,2,3,4-四甲基戊烷(1186-53-4)红外图谱(IR1)

分子式:C9H20

分子量: 128.26

InChI:InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3

InChIKey: VZFMYOCAEQDWDY-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4584          
    2,2,3,4-tetramethylpentane
    C9H20               (Mass of molecular ion:    128)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       6.1
          28.0       1.0
          29.0      10.2
          39.0       5.6
          41.0      24.1
          42.0       2.8
          43.0      57.1
          44.0       2.0
          53.0       1.6
          55.0       9.2
          56.0      50.2
          57.0     100.0
          58.0       4.7
          69.0       4.6
          70.0      11.3
          71.0      15.1
          84.0       2.3
          85.0      15.3
          86.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H20 0.04 ml : 0.5 ml CDCl3
    2,2,3,4-tetramethylpentane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.974 B 1.137 C *1 0.882 D 0.873 E *1 0.782 F 0.745 J(A,C)=J(A,E)=6.90HZ. J(A,B)=1.73HZ. J(B,F)=7.20HZ. THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

         Hz     ppm     Int.
    

         99.56   1.112     21
         82.50   0.922    105
         80.00   0.894     27
         78.25   0.874   1000
         75.63   0.845    108
         73.44   0.821    113
         70.56   0.788     70
         70.06   0.783    107
         66.75   0.746     93
         63.81   0.713     48
         63.19   0.706     56
         61.94   0.692     34
    

in CDCl3

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liquid film

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