112-41-4

1-十二烯(112-41-4)紅外圖譜(IR1)

產(chǎn)品名稱:1-十二烯

CAS:112-41-4

分子式:C12H24

分子量: 168.32

InChI:InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3

InChIKey: CRSBERNSMYQZNG-UHFFFAOYSA-N

Smiles:C=CCCCCCCCCCC

Mass

MS-NW-0436          
1-dodecene
C12H24              (Mass of molecular ion:    168)

   Source Temperature: 240 °C
   Sample Temperature: 120 °C
   Reservoir, 75 eV

      18.0       2.1
      27.0      14.8
      28.0       4.0
      29.0      30.1
      39.0      17.3
      40.0       3.1
      41.0      75.2
      42.0      27.0
      43.0     100.0
      44.0       3.4
      53.0       6.6
      54.0      12.4
      55.0      92.9
      56.0      92.5
      57.0      67.0
      58.0       3.0
      65.0       1.0
      66.0       1.0
      67.0      11.5
      68.0      13.0
      69.0      76.5
      70.0      89.4
      71.0      29.0
      72.0       1.6
      81.0       4.0
      82.0      14.4
      83.0      65.2
      84.0      48.8
      85.0      14.4
      95.0       1.0
      96.0       6.0
      97.0      45.9
      98.0      23.8
      99.0       2.2
     110.0       2.2
     111.0      15.7
     112.0       9.1
     113.0       1.0
     125.0       6.2
     126.0       6.6
     139.0       2.6
     140.0       5.3
     168.0       9.8
     169.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₂₄	0.04 ml : 0.5 ml CDCl₃
1-dodecene

    Assign.     Shift(ppm)

      A             5.795
      B             4.98
      C             4.93
      D             2.02
      E             1.46
      F          1.46 to 1.07
      G             0.89

     Hz     ppm     Int.

    535.19   5.976     31
    525.25   5.865     39
    517.94   5.784     52
    508.06   5.673     60
    501.56   5.601     34
    455.63   5.088     51
    454.69   5.077     51
    454.13   5.071     35
    453.25   5.061     95
    451.81   5.045     47
    447.56   4.998     40
    446.38   4.985     83
    445.19   4.971     62
    444.00   4.958     47
    437.50   4.885     46
    436.44   4.874     89
    436.06   4.869     87
    435.25   4.860     61
    434.63   4.853     48
    434.13   4.848     36
    185.94   2.077     45
    185.63   2.073     45
    185.06   2.067     43
    184.75   2.063     43
    183.06   2.044     33
    182.50   2.038     32
    179.44   2.004     52
    130.50   1.458     30
    129.88   1.451     32
    125.69   1.404     52
    125.00   1.396     52
    113.50   1.268   1000
     84.19   0.941     63
     82.44   0.921     51
     81.81   0.914     49
     81.00   0.905     50
     78.81   0.880    195
     72.81   0.813     40

in CDCl3