7785-70-8

蒎烯(7785-70-8)Raman光谱

产品名称:蒎烯

CAS:7785-70-8

分子式:C10H16

分子量: 136.23

InChI:InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1

InChIKey: GRWFGVWFFZKLTI-RKDXNWHRSA-N

Smiles:[C@]12([H])C[C@]([H])(C1(C)C)CC=C2C

Mass

MS-NW-9493          
(+)-2-pinene
C10H16              (Mass of molecular ion:    136)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       6.1
      28.0       1.7
      29.0       4.5
      39.0       9.4
      40.0       1.6
      41.0      13.0
      43.0       7.8
      51.0       3.5
      52.0       1.5
      53.0       6.3
      55.0       5.8
      63.0       1.1
      65.0       4.1
      66.0       1.2
      67.0       8.0
      68.0       4.7
      69.0       1.6
      77.0      22.3
      78.0       3.3
      79.0      18.9
      80.0       9.1
      81.0       3.9
      91.0      26.7
      92.0      32.2
      93.0     100.0
      94.0       9.9
      95.0       2.0
     103.0       1.3
     105.0       9.3
     106.0       2.6
     107.0       5.7
     108.0       1.4
     119.0       2.0
     121.0      14.0
     122.0       1.5
     136.0       6.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₆	0.05 ml : 0.5 ml CDCl₃
(+)-2-pinene

    Assign.     Shift(ppm)

      A             5.185
      B             2.332
      C     *1      2.22
      D     *1      2.17
      E             2.068
      F             1.932
      G             1.656
      J             1.265
      K             1.155
      L             0.837
     
     ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

   2077.76   5.199     32
   2076.17   5.195     66
   2074.71   5.192    104
   2073.24   5.188    131
   2071.66   5.184    131
   2070.19   5.181    106
   2068.73   5.177     69
   2067.26   5.173     35
    942.50   2.359     65
    936.77   2.344    116
    933.96   2.337     76
    931.27   2.331     84
    928.34   2.323    120
    922.73   2.309     80
    888.06   2.223     49
    885.62   2.216     87
    883.30   2.211     90
    880.86   2.205     55
    874.02   2.187     59
    871.58   2.181    101
    869.14   2.175    104
    866.58   2.169     63
    854.25   2.138     31
    851.81   2.132     32
    833.01   2.085     38
    831.67   2.081     41
    829.96   2.077     61
    828.74   2.074     66
    827.15   2.070     77
    825.93   2.067     78
    824.22   2.063     65
    822.88   2.060     62
    821.29   2.056     47
    820.07   2.052     44
    778.08   1.947     83
    776.61   1.944     87
    772.46   1.933    123
    771.12   1.930    128
    766.85   1.919     65
    765.38   1.916     65
    665.04   1.665    322
    662.96   1.659    608
    661.25   1.655    615
    659.06   1.650    319
    505.49   1.265    944
    466.06   1.167    228
    457.52   1.145    223
    334.59   0.838   1000

in CDCl3