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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

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    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

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

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liquid film

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4880 A,200 M,liquid

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