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Back ChemicalBook Home>CAS DataBase List>558-37-2More Spectrum> 3,3-Dimethyl-1-butene(558-37-2) 13C NMR

558-37-2

3,3-Dimethyl-1-butene(558-37-2) 13C NMR

Molecular FormulaC6H12

Molecular Weight84.16

InChIInChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3

InChIKey PKXHXOTZMFCXSH-UHFFFAOYSA-N

SmilesC=CC(C)(C)C

  • 3,3-Dimethyl-1-butene(558-37-2) <sup>13</sup>C NMR
    Mass

    MS-NW-3189          
    3,3-dimethyl-1-butene
    C6H12               (Mass of molecular ion:     84)
    

       Source Temperature: 290 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.1
          26.0       1.0
          27.0       9.8
          29.0       6.5
          38.0       1.5
          39.0      14.0
          40.0       2.4
          41.0      83.5
          42.0       5.8
          43.0       3.7
          50.0       1.4
          51.0       2.3
          53.0       6.2
          54.0       1.1
          55.0       6.9
          56.0       7.3
          57.0       7.6
          67.0       3.6
          69.0     100.0
          70.0       6.1
          84.0      22.6
          85.0       1.5
    

90 MHz in CDCl3

  • 3,3-Dimethyl-1-butene(558-37-2) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C6 H12 0.05 ml : 0.5 ml CDCl3
    3,3-dimethyl-1-butene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.834 B 4.926 C 4.820 D 1.011 J(A,B)=17.5HZ. J(A,C)=10.4HZ. J(B,C)=1.7HZ.

         Hz     ppm     Int.
    

        538.81   6.017     32
        528.38   5.900     37
        521.31   5.821     47
        510.88   5.705     58
        448.69   5.010     27
        447.00   4.992     43
        437.88   4.890     56
        436.19   4.871     38
        431.13   4.814     22
        429.50   4.796     25
        427.44   4.773     43
        425.81   4.755     36
         90.56   1.012   1000
    

in CDCl3

  • 3,3-Dimethyl-1-butene(558-37-2) <sup>13</sup>C NMR

liquid film

  • 3,3-Dimethyl-1-butene(558-37-2) <sup>13</sup>C NMR

  • 3,3-Dimethyl-1-butene(558-37-2) <sup>13</sup>C NMR

3,3-Dimethyl-1-butene(558-37-2) 13C NMR Atlas of Related Products

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