3074-78-0

2,6-二甲基-1-庚烯(3074-78-0)质谱(MS)

产品名称:2,6-二甲基-1-庚烯

CAS:3074-78-0

分子式:C9H18

分子量: 126.24

InChI:InChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h9H,1,5-7H2,2-4H3

InChIKey: JUUMAEXLYIMEOD-UHFFFAOYSA-N

Smiles:C=C(C)CCCC(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-3489          
2,6-dimethyl-1-heptene
C9H18               (Mass of molecular ion:    126)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0      10.1
      29.0      11.9
      39.0      12.3
      40.0       2.9
      41.0      35.9
      42.0       9.4
      43.0      31.7
      44.0       1.1
      51.0       1.2
      53.0       4.5
      54.0       1.9
      55.0      44.3
      56.0     100.0
      57.0      18.5
      67.0       3.8
      68.0       2.8
      69.0      34.0
      70.0      26.5
      71.0       3.2
      83.0       6.4
      84.0       2.4
      98.0       1.8
     111.0       2.1
     126.0      12.3
     127.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₈	0.04 ml : 0.5 ml CDCl₃
2,6-dimethyl-1-heptene

    Assign.     Shift(ppm)

      A          4.71 to 4.64
      B             1.98
      C             1.707
      D          1.81 to 0.97
      E             0.883

     Hz     ppm     Int.

    419.56   4.685    170
    418.63   4.675    205
    418.19   4.670    184
    417.63   4.664    203
    416.63   4.652    105
    415.44   4.639     38
    185.13   2.068     33
    178.50   1.994     85
    171.19   1.912     80
    154.06   1.721    324
    153.13   1.710    513
    152.75   1.706    467
    152.25   1.700    325
    151.75   1.695    330
    142.31   1.589     34
    140.69   1.571     37
    139.38   1.557     47
    138.00   1.541     34
    137.00   1.530     60
    135.50   1.513     47
    133.19   1.488     50
    132.50   1.480     53
    131.88   1.473     54
    130.69   1.460     51
    128.94   1.440     67
    126.38   1.412     71
    124.44   1.390     50
    123.81   1.383     37
    123.69   1.382     37
    122.81   1.372     51
    120.19   1.343     89
    119.38   1.333     72
    118.56   1.324     50
    117.81   1.316     32
    116.94   1.306     37
    114.94   1.284     94
    114.00   1.273     96
    112.56   1.257     96
    111.44   1.245     47
    110.25   1.232     58
    109.38   1.222     37
    108.94   1.217     39
    106.88   1.194     92
    104.94   1.172     34
    103.88   1.160     53
    102.50   1.145     33
    100.25   1.120     50
     97.63   1.091     33
     81.50   0.911   1000
     75.50   0.844    680

in CDCl3