695-12-5

乙烯基環(huán)己烷(695-12-5)質(zhì)譜(MS)

產(chǎn)品名稱:乙烯基環(huán)己烷

CAS:695-12-5

分子式:C8H14

分子量: 110.2

InChI:InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2

InChIKey: LDLDYFCCDKENPD-UHFFFAOYSA-N

Smiles:C1(C=C)CCCCC1

Mass

MS-IW-9465          
vinylcyclohexane
C8H14               (Mass of molecular ion:    110)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.1
      27.0      14.7
      28.0       3.4
      29.0       7.5
      38.0       1.1
      39.0      24.4
      40.0       4.5
      41.0      45.0
      42.0       3.7
      43.0       2.4
      50.0       1.6
      51.0       3.8
      52.0       2.3
      53.0      11.7
      54.0      40.0
      55.0      17.9
      56.0       3.1
      65.0       3.8
      66.0       4.1
      67.0      75.1
      68.0      24.7
      69.0      14.0
      70.0       1.8
      77.0       3.0
      79.0       7.4
      80.0       6.1
      81.0     100.0
      82.0      35.0
      83.0       3.1
      91.0       1.3
      93.0       1.2
      95.0      17.3
      96.0       1.6
     109.0       1.6
     110.0      16.0
     111.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₄	0.05 ml : 0.5 ml CDCl₃
vinylcyclohexane

    Assign.     Shift(ppm)

      A             5.773
      B             4.948
      C             4.873
      D             1.95
      E             1.72
      F             1.65
      G             1.26
      J             1.167
      K             1.07

     Hz     ppm     Int.

   2325.20   5.819    329
   2318.73   5.802    342
   2314.70   5.792    351
   2308.11   5.776    617
   2301.39   5.759    381
   2297.49   5.749    387
   2290.89   5.733    389
   1987.30   4.973    653
   1985.84   4.969    793
   1985.35   4.968    815
   1983.89   4.965    720
   1969.97   4.930    595
   1968.51   4.926    722
   1968.02   4.925    737
   1966.55   4.921    653
   1954.10   4.890    650
   1952.88   4.887    714
   1952.15   4.885    650
   1950.93   4.882    588
   1943.60   4.864    613
   1942.38   4.861    672
   1941.65   4.859    614
   1940.43   4.856    556
    782.23   1.958    183
    780.88   1.954    202
    777.59   1.946    187
    774.29   1.938    203
    772.95   1.935    188
    695.68   1.741    984
    685.06   1.715   1000
    684.20   1.712    921
    682.62   1.709    985
    668.58   1.673    242
    666.99   1.669    257
    665.41   1.665    292
    663.70   1.661    231
    658.33   1.648    211
    656.49   1.643    235
    655.27   1.640    237
    654.79   1.639    231
    653.20   1.635    287
    651.37   1.630    232
    527.59   1.321    142
    519.41   1.300    202
    515.01   1.289    422
    512.70   1.283    255
    511.84   1.281    274
    505.49   1.265    407
    502.44   1.258    573
    499.63   1.251    309
    493.04   1.234    240
    490.23   1.227    322
    487.79   1.221    208
    480.35   1.202    180
    478.27   1.197    272
    475.46   1.190    152
    469.48   1.175    218
    466.43   1.168    390
    463.26   1.160    211
    457.40   1.145    141
    454.10   1.137    302
    451.90   1.131    153
    450.81   1.129    192
    448.12   1.122    260
    445.56   1.115    288
    441.77   1.106    145
    433.59   1.085    533
    424.44   1.063    467
    420.04   1.052    227
    412.48   1.033    162

in CDCl3