625-27-4

2-甲基-2戊烯(625-27-4)核磁图(¹³CNMR)

产品名称:2-甲基-2戊烯

CAS:625-27-4

分子式:C6H12

分子量: 84.16

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

InChIKey: JMMZCWZIJXAGKW-UHFFFAOYSA-N

Smiles:C/C(/C)=C\CC

Mass

MS-NW-9061          
2-methyl-2-pentene
C6H12               (Mass of molecular ion:     84)

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

      27.0      11.6
      28.0       2.3
      29.0       8.7
      38.0       1.7
      39.0      19.3
      40.0       4.2
      41.0     100.0
      42.0      15.9
      43.0       7.9
      50.0       1.6
      51.0       2.5
      52.0       1.0
      53.0       7.2
      54.0       2.1
      55.0      25.9
      56.0      15.3
      57.0       1.0
      65.0       1.3
      67.0       6.2
      68.0       1.6
      69.0      99.8
      70.0       5.6
      83.0       1.3
      84.0      42.6
      85.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂	0.05 ml : 0.5 ml CDCl₃
2-methyl-2-pentene

    Assign.     Shift(ppm)

      A             5.113
      B             1.972
      C             1.68
      D             1.60
      E             0.932

     Hz     ppm     Int.

    466.56   5.210     48
    465.13   5.194     64
    463.81   5.179     51
    463.69   5.178     51
    462.38   5.163     32
    461.00   5.148     45
    459.56   5.132     96
    458.13   5.116    127
    456.75   5.100     98
    455.31   5.084     49
    453.94   5.069     33
    452.50   5.053     53
    451.13   5.038     68
    449.69   5.022     53
    184.94   2.065    114
    178.19   1.990    173
    177.38   1.981    181
    171.25   1.913    119
    170.44   1.904    135
    163.38   1.825     41
    162.63   1.816     41
    150.88   1.685    774
    149.81   1.673    753
    146.63   1.638     83
    143.94   1.608    751
    143.56   1.603    831
    142.94   1.597    832
    142.56   1.592    835
     90.50   1.011    537
     85.50   0.955     40
     83.25   0.930   1000
     82.81   0.925    728
     81.25   0.908    132
     77.81   0.869     32
     75.69   0.846    368
     75.00   0.838    219

in CDCl3