1632-16-2

2-乙基-1-己烯(1632-16-2)Raman光谱

产品名称:2-乙基-1-己烯

CAS:1632-16-2

分子式:C8H16

分子量: 112.21

InChI:InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3

InChIKey: XTVRLCUJHGUXCP-UHFFFAOYSA-N

Smiles:CCC(=C)CCCC

Mass

MS-NW-4271          
2-ethyl-1-hexene
C8H16               (Mass of molecular ion:    112)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0      15.1
      28.0       1.8
      29.0      13.2
      39.0      12.8
      40.0       2.7
      41.0      47.5
      42.0      26.5
      43.0      12.7
      51.0       1.5
      53.0       5.5
      54.0       4.0
      55.0      91.5
      56.0      11.5
      57.0       2.8
      67.0       4.1
      68.0       1.0
      69.0       8.3
      70.0     100.0
      71.0       8.3
      83.0       7.3
      84.0       2.3
     112.0      11.7
     113.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆	0.04 ml : 0.5 ml CDCl₃
2-ethyl-1-hexene

    Assign.     Shift(ppm)

      A             4.69
      B          2.20 to 1.85
      C          1.63 to 1.15
      D             1.02
      E             0.92

     Hz     ppm     Int.

    422.13   4.714    152
    421.00   4.701    432
    419.94   4.689    615
    418.81   4.677    407
    417.88   4.666    158
    184.81   2.064    250
    181.31   2.025    170
    181.00   2.021    167
    180.13   2.012    159
    178.44   1.993    243
    177.56   1.983    269
    177.25   1.980    268
    174.69   1.951    136
    171.81   1.919     78
    170.56   1.905    101
    131.00   1.463     95
    129.44   1.446     89
    128.38   1.434    129
    127.88   1.428    130
    127.44   1.423    131
    127.00   1.419    134
    123.50   1.379    288
    121.81   1.361    166
    120.19   1.343    205
    119.81   1.338    208
    119.00   1.329    155
    117.75   1.315    160
    116.19   1.298    206
    115.31   1.288    106
    114.19   1.276    114
    111.88   1.250     83
     98.69   1.102    445
     91.56   1.023   1000
     89.31   0.998    110
     87.50   0.977    224
     83.88   0.937    392
     81.13   0.906    495
     78.44   0.876    128
     76.50   0.855     82
     75.63   0.845     82

in CDCl3