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562-49-2

3,3-二甲基戊烷(562-49-2)核磁图(13CNMR)

产品名称:3,3-二甲基戊烷

CAS:562-49-2

分子式:C7H16

分子量: 100.2

InChI:InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3

InChIKey: AEXMKKGTQYQZCS-UHFFFAOYSA-N

Smiles:CCC(C)(C)CC

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    Mass

    MS-NW-4699          
    3,3-dimethylpentane
    C7H16               (Mass of molecular ion:    100)
    

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

          27.0       9.3
          29.0      11.5
          39.0       6.4
          41.0      15.7
          42.0       2.7
          43.0     100.0
          44.0       3.4
          53.0       1.8
          55.0      11.2
          56.0       1.3
          57.0       6.1
          69.0       1.4
          70.0      18.0
          71.0      69.7
          72.0       4.1
          85.0      19.3
          86.0       1.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H16 0.04 ml : 0.5 ml CDCl3
    3,3-dimethylpentane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.203 B 0.797 C 0.792 J(A,C) = 7.6 HZ.

         Hz     ppm     Int.
    

        118.88   1.328     23
        115.00   1.285     21
        112.44   1.256     75
        111.50   1.245     72
        107.75   1.204     31
        106.06   1.185     40
        104.63   1.169    123
         98.94   1.105     61
         97.31   1.087     68
         78.50   0.877    106
         77.63   0.867    139
         77.25   0.863    142
         76.50   0.855    115
         73.44   0.821     27
         71.31   0.797   1000
         68.13   0.761     76
         64.31   0.719     59
         63.06   0.705     74
         61.00   0.682     49
    

in CDCl3

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liquid film

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