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563-78-0

2,3-二甲基-1-丁烯(563-78-0)质谱(MS)

产品名称:2,3-二甲基-1-丁烯

CAS:563-78-0

分子式:C6H12

分子量: 84.16

InChI:InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3

InChIKey: OWWIWYDDISJUMY-UHFFFAOYSA-N

Smiles:C=C(C)C(C)C

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    Mass

    MS-NW-9062          
    2,3-dimethyl-1-butene
    C6H12               (Mass of molecular ion:     84)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       8.5
          29.0       3.6
          38.0       1.6
          39.0      17.3
          40.0       3.6
          41.0     100.0
          42.0       8.9
          43.0       6.9
          50.0       1.1
          51.0       1.8
          53.0       5.6
          54.0       1.1
          55.0       9.1
          56.0       7.0
          67.0       5.1
          68.0       1.0
          69.0      99.9
          70.0       5.6
          83.0       1.2
          84.0      34.7
          85.0       2.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 0.04 ml : 0.5 ml CDCl3
    2,3-dimethyl-1-butene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.66 B 2.245 C 1.703 D 1.023 J(B,D)=6.8HZ.

         Hz     ppm     Int.
    

        421.44   4.706     30
        420.50   4.696     51
        419.31   4.682    111
        418.38   4.672    163
        417.44   4.662    169
        415.94   4.645     98
        415.56   4.641     99
        414.75   4.631     57
        414.00   4.623     50
        209.06   2.335     25
        202.13   2.257     37
        195.44   2.183     32
        153.69   1.717    289
        152.69   1.705    431
        151.75   1.695    318
         94.69   1.058   1000
         90.00   1.005     22
         87.94   0.982    811
    

in CDCl3

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liquid film

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