2,4,4-TRIMETHYL-2-PENTENE(107-40-4) ¹³C NMR

Product Name2,4,4-TRIMETHYL-2-PENTENE

CAS 107-40-4

Molecular FormulaC8H16

Molecular Weight112.21

InChIInChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3

InChIKey LAAVYEUJEMRIGF-UHFFFAOYSA-N

SmilesC/C(/C)=C\C(C)(C)C

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Mass

MS-NW-3307          
2,4,4-trimethyl-2-pentene
C8H16               (Mass of molecular ion:    112)

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

      15.0       1.1
      27.0       9.2
      29.0       9.4
      39.0      12.0
      40.0       1.7
      41.0      26.3
      42.0       2.0
      43.0      13.0
      50.0       1.0
      51.0       2.1
      53.0       5.8
      54.0       1.1
      55.0      82.1
      56.0       6.1
      57.0      21.3
      58.0       1.1
      65.0       1.2
      67.0       3.2
      69.0      19.3
      70.0       2.5
      77.0       1.4
      79.0       2.1
      81.0       3.4
      96.0       1.2
      97.0     100.0
      98.0       8.3
     112.0      26.1
     113.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆	0.04 ml : 0.5 ml CDCl₃
2,4,4-trimethyl-2-pentene

    Assign.     Shift(ppm)

      A             5.164
      B     *1      1.713
      C     *1      1.664
      D             1.087
     
     J(A,B)=J(A,C)=-1.4HZ.

     Hz     ppm     Int.

    464.00   5.181     26
    462.63   5.166     35
    461.25   5.151     27
    153.94   1.719    133
    152.81   1.707    133
    149.69   1.672    129
    148.31   1.656    129
     99.44   1.111     27
     97.38   1.088   1000
     95.38   1.065     36

in CDCl3