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498-16-8

熏衣草醇(498-16-8)核磁图(1HNMR)

产品名称:熏衣草醇

CAS:498-16-8

分子式:C10H18O

分子量: 154.25

InChI:InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m0/s1

InChIKey: CZVXBFUKBZRMKR-JTQLQIEISA-N

Smiles:C(O)[C@@H](C(C)=C)C/C=C(/C)\C

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    Mass

    MS-IW-2193          
    (R)-2-isopropenyl-5-methyl-4-hexen-1-ol
    C10H18O             (Mass of molecular ion:    154)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       5.6
          28.0       1.2
          29.0       7.6
          31.0       2.4
          39.0       9.6
          40.0       2.2
          41.0      62.0
          42.0       3.6
          43.0       8.0
          51.0       1.5
          53.0       7.6
          55.0       8.4
          56.0       1.8
          57.0       3.4
          65.0       2.1
          66.0       1.0
          67.0      12.4
          68.0      23.5
          69.0     100.0
          70.0       8.8
          71.0       6.4
          77.0       3.7
          79.0       5.0
          80.0       2.1
          81.0      10.6
          82.0       1.6
          83.0       3.1
          84.0       4.3
          85.0       3.5
          91.0       4.1
          92.0       1.6
          93.0      15.5
          94.0       2.1
          95.0       2.2
          97.0       1.1
         105.0       1.6
         107.0       2.8
         109.0       1.9
         110.0       2.7
         111.0      29.6
         112.0       2.6
         121.0       6.4
         122.0       1.1
         123.0      11.5
         124.0       1.9
         136.0       2.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H18 O 0.05 ml : 0.5 ml CDCl3
    (R)-2-isopropenyl-5-methyl-4-hexen-1-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.079 B 4.918 C 4.81 D *1 3.555 E *1 3.500 F 2.275 G *2 2.10 J *2 2.03 K 1.89 L 1.70 M 1.69 N 1.608 J(D,E)=-10.7HZ J(D,F)=5.3HZ J(E,F)=8.1HZ

         Hz     ppm     Int.
    

       2038.21   5.100     49
       2036.87   5.097     64
       2035.52   5.094     55
       2030.27   5.081    102
       2029.66   5.079    104
       2025.76   5.069     40
       2024.17   5.065     53
       2022.71   5.062     64
       2021.36   5.058     50
       1968.99   4.927     69
       1967.41   4.923    171
       1965.82   4.919    247
       1964.23   4.915    190
       1962.89   4.912     70
       1922.85   4.812    219
       1922.12   4.810    227
       1921.63   4.809    231
       1920.78   4.807    224
       1430.91   3.581     88
       1425.66   3.568    100
       1420.17   3.554    207
       1414.92   3.541    202
       1406.13   3.519    225
       1398.07   3.499    226
       1395.51   3.492    105
       1387.45   3.472    105
        918.58   2.299     36
        916.38   2.293     76
        911.13   2.280     80
        908.94   2.275     91
        903.69   2.262     83
        901.25   2.256     46
        896.00   2.242     38
        850.46   2.129     41
        843.14   2.110     75
        835.82   2.092     99
        828.00   2.072     58
        826.42   2.068     56
        825.20   2.065     59
        818.24   2.048     86
        817.50   2.046     88
        810.67   2.029     67
        803.83   2.012     38
        803.47   2.011     38
        802.86   2.009     38
        678.34   1.698   1000
        677.49   1.696    974
        675.42   1.691    835
        674.32   1.688    859
        642.70   1.609    894
    

in CDCl3

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liquid film

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