产品名称:(1S)-(-)-6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOL

CAS:

分子式:C11H18O

分子量: 166.26002

Mass

MS-NW-8509          
(1S)-(-)-6,6-dimethylbicyclo(3.1.1)hept-2-ene-2-ethanol
C11H18O             (Mass of molecular ion:    166)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0      10.6
      28.0       1.8
      29.0       7.3
      31.0       4.7
      39.0      12.3
      40.0       2.1
      41.0      24.6
      42.0       1.4
      43.0      13.1
      50.0       1.0
      51.0       4.1
      52.0       2.0
      53.0       8.7
      54.0       1.1
      55.0       9.7
      56.0       1.0
      57.0       1.1
      63.0       1.4
      65.0       5.7
      66.0       3.0
      67.0       7.2
      68.0       2.8
      69.0       5.7
      77.0      16.5
      78.0       5.0
      79.0      26.1
      80.0       4.0
      81.0       4.7
      82.0       1.2
      83.0       1.0
      91.0      24.7
      92.0      18.1
      93.0      20.9
      94.0       2.8
      95.0       2.1
     103.0       4.3
     104.0       1.5
     105.0     100.0
     106.0      10.2
     107.0       7.7
     115.0       1.0
     117.0       1.7
     119.0       4.0
     120.0       1.7
     121.0       6.2
     122.0      10.2
     123.0       1.8
     133.0       7.9
     135.0       5.2
     148.0       1.0
     151.0       2.8
     166.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₈ O	0.04 ml : 0.5 ml CDCl₃
(1S)-(-)-6,6-dimethylbicyclo(3.1.1)hept-2-ene-2-ethanol

    Assign.     Shift(ppm)

      A             5.335
      B             3.604
      C             2.382
      D     *1      2.27
      E             2.23
      F     *1      2.22
      G             2.105
      J             2.040
      K             1.88
      L     *2      1.280
      M             1.148
      N     *2      0.846
     
     ASSIGNED BY C-H AND H-H COSY

     Hz     ppm     Int.

   2135.99   5.345     51
   2134.52   5.341     82
   2133.06   5.338    111
   2131.71   5.334    131
   2130.25   5.331    117
   2128.78   5.327     74
   1451.90   3.633     40
   1447.75   3.623    124
   1445.43   3.617    153
   1441.41   3.607    245
   1439.21   3.602    252
   1434.94   3.591    132
   1432.86   3.586    127
    962.28   2.408     73
    956.54   2.394    124
    953.74   2.387     82
    951.05   2.380     90
    948.00   2.373    123
    942.50   2.359     85
    906.86   2.270     80
    905.27   2.266     98
    902.47   2.259     70
    902.22   2.258     70
    899.90   2.252     94
    898.68   2.249    139
    897.22   2.246    145
    896.00   2.242    113
    893.55   2.236    187
    892.21   2.233    271
    890.99   2.230    301
    887.21   2.220     83
    885.62   2.216    122
    884.40   2.213    114
    882.93   2.210     39
    874.15   2.188     33
    847.90   2.122     34
    846.68   2.119     36
    844.97   2.115     58
    843.63   2.111     58
    842.04   2.107     69
    840.82   2.104     70
    839.23   2.100     63
    837.89   2.097     52
    836.18   2.093     42
    834.96   2.090     41
    820.80   2.054     86
    819.34   2.051     89
    815.31   2.041    114
    813.84   2.037    115
    809.69   2.026     52
    808.23   2.023     50
    749.27   1.875     39
    511.72   1.281    944
    463.26   1.160    226
    454.59   1.138    217
    338.13   0.847   1000

in CDCl3

liquid film

更多供应商