51174-12-0

2,4,4-三甲基-1-己烯(51174-12-0)红外图谱(IR1)

产品名称:2,4,4-三甲基-1-己烯

CAS:51174-12-0

分子式:C9H18

分子量: 126.24

InChI:InChI=1S/C9H18/c1-6-9(4,5)7-8(2)3/h2,6-7H2,1,3-5H3

InChIKey: AVKVJWFFVHGHLJ-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3699          
2,4,4-trimethyl-1-hexene
C9H18               (Mass of molecular ion:    126)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0      10.6
      29.0      14.1
      39.0      11.4
      40.0       1.7
      41.0      23.7
      42.0       4.7
      43.0     100.0
      44.0       3.5
      51.0       1.2
      53.0       4.2
      54.0       1.1
      55.0      39.8
      56.0       5.0
      57.0       3.3
      67.0       2.6
      69.0      22.8
      70.0      46.4
      71.0      86.9
      72.0       5.1
      81.0       2.4
      97.0      10.4
     111.0       3.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₈	0.04 ml : 0.5 ml CDCl₃
2,4,4-trimethyl-1-hexene

    Assign.     Shift(ppm)

      A     *1      4.826
      B     *1      4.625
      C             1.929
      D             1.770
      E             1.26
      F             0.864
      G             0.86
     
     J(A,D)=1.5HZ. J(B,D)=0.8HZ. J(A,B)=2.6HZ.

     Hz     ppm     Int.

    434.63   4.853     35
    433.19   4.837     42
    432.00   4.824     52
    430.56   4.808     48
    415.81   4.643     44
    415.00   4.634     48
    414.13   4.625     40
    413.25   4.615     39
    412.38   4.605     36
    173.25   1.935    157
    172.50   1.927    163
    159.69   1.784    163
    158.88   1.775    191
    158.25   1.767    185
    157.44   1.758    171
    118.00   1.318     43
    117.06   1.308     40
    110.13   1.230     69
    104.44   1.167     38
    102.81   1.148     35
     82.75   0.924     55
     81.81   0.914     81
     81.50   0.911     79
     80.75   0.902     66
     77.38   0.865   1000
     75.13   0.839    263
     72.44   0.809     40
     68.50   0.765     31
     67.31   0.752     42

in CDCl3