558-37-2

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

Product Name3,3-Dimethyl-1-butene

CAS 558-37-2

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

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

¹H NMR	89.56 MHz
C₆ H₁₂	0.05 ml : 0.5 ml CDCl₃
3,3-dimethyl-1-butene

    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