7785-26-4

左旋-alpha-蒎烯(7785-26-4)Raman光谱

产品名称:左旋-alpha-蒎烯

CAS:7785-26-4

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-/m0/s1

InChIKey: GRWFGVWFFZKLTI-IUCAKERBSA-N

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

Mass

MS-NW-0780          
(1S)-(-)-2-pinene
C10H16              (Mass of molecular ion:    136)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       7.6
      28.0       1.2
      29.0       5.1
      39.0      10.9
      40.0       1.8
      41.0      14.0
      42.0       1.0
      43.0       7.2
      50.0       1.0
      51.0       3.6
      52.0       1.6
      53.0       6.5
      55.0       5.6
      63.0       1.2
      65.0       4.0
      66.0       1.2
      67.0       6.9
      68.0       4.8
      69.0       2.3
      77.0      20.6
      78.0       3.1
      79.0      17.7
      80.0       9.4
      81.0       3.6
      91.0      23.1
      92.0      30.7
      93.0     100.0
      94.0       9.8
      95.0       2.0
     103.0       1.0
     105.0       8.4
     106.0       2.3
     107.0       5.9
     108.0       1.3
     119.0       1.9
     121.0      14.7
     122.0       1.5
     136.0      10.9
     137.0       1.2

400 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             5.184
      B             2.332
      C     *1      2.22
      D     *1      2.17
      E             2.067
      F             1.931
      G             1.654
      J             1.264
      K             1.157
      L             0.838

     Hz     ppm     Int.

   2077.39   5.199     42
   2075.81   5.195     86
   2074.46   5.191    128
   2072.75   5.187    161
   2071.29   5.183    164
   2069.82   5.180    125
   2068.24   5.176     86
   2066.65   5.172     42
    942.02   2.358     91
    936.28   2.343    144
    933.47   2.336    102
    930.79   2.330    117
    927.98   2.322    149
    922.24   2.308    108
    902.71   2.259     34
    900.51   2.254     34
    900.15   2.253     35
    887.94   2.222     61
    885.38   2.216    105
    882.81   2.209    106
    880.62   2.204     64
    880.25   2.203     65
    873.78   2.187     74
    871.34   2.181    123
    868.77   2.174    125
    866.33   2.168     77
    854.00   2.137     40
    851.56   2.131     39
    834.11   2.088     32
    832.64   2.084     45
    831.30   2.081     48
    829.71   2.077     73
    828.37   2.073     76
    826.78   2.069     90
    825.44   2.066     89
    823.97   2.062     73
    822.63   2.059     70
    820.92   2.055     53
    819.58   2.051     49
    818.24   2.048     30
    777.83   1.947    100
    776.37   1.943    101
    772.22   1.933    143
    770.75   1.929    147
    766.60   1.919     78
    765.14   1.915     78
    664.31   1.663    422
    662.60   1.658    585
    662.11   1.657    724
    660.40   1.653    740
    659.91   1.652    543
    658.20   1.647    417
    505.37   1.265    955
    466.80   1.169    266
    458.37   1.147    259
    334.96   0.839   1000

in CDCl3