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Back ChemicalBook Home>CAS DataBase List>7785-26-4More Spectrum> (1S)-(-)-alpha-Pinene(7785-26-4) IR1

(1S)-(-)-alpha-Pinene(7785-26-4) IR1

Molecular FormulaC10H16

Molecular Weight136.23

InChIInChI=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
    ChemicalStructure
        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



CCl4 solution



liquid film



4880 A,200 M,liquid



(1S)-(-)-alpha-Pinene(7785-26-4) IR1 Atlas of Related Products

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