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470-82-6

桉叶油醇(470-82-6)Raman光谱

产品名称:桉叶油醇

CAS:470-82-6

分子式:C10H18O

分子量: 154.25

InChI:InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

InChIKey: WEEGYLXZBRQIMU-UHFFFAOYSA-N

Smiles:C12(C)CCC(CC1)C(C)(C)O2

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    Mass

    MS-NW-0873          
    1,8-cineole
    C10H18O             (Mass of molecular ion:    154)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.7
          27.0      13.1
          28.0       2.3
          29.0      10.9
          31.0       1.3
          39.0      19.1
          40.0       3.9
          41.0      33.6
          42.0       3.0
          43.0     100.0
          44.0       2.2
          45.0       2.3
          50.0       1.2
          51.0       3.9
          52.0       1.8
          53.0      12.3
          54.0       9.3
          55.0      32.9
          56.0       8.1
          57.0       2.0
          58.0      14.8
          59.0      15.5
          63.0       1.1
          65.0       4.2
          66.0       2.0
          67.0      23.9
          68.0      37.7
          69.0      40.1
          70.0       2.7
          71.0      46.8
          72.0       2.6
          77.0      11.6
          78.0       2.1
          79.0      12.6
          80.0       5.1
          81.0      55.5
          82.0       7.6
          83.0      18.4
          84.0      38.2
          85.0       3.0
          91.0      10.9
          92.0      10.6
          93.0      55.5
          94.0       7.4
          95.0      14.0
          96.0      23.4
          97.0       5.2
          98.0       1.3
         105.0       3.2
         106.0       1.1
         107.0       5.8
         108.0      35.7
         109.0       3.9
         111.0      28.8
         112.0       2.2
         119.0       5.2
         121.0       9.5
         122.0       1.0
         125.0       3.8
         126.0       6.5
         134.0       1.2
         136.0       7.6
         139.0      18.8
         140.0       1.9
         154.0      23.9
         155.0       2.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H18 O 0.05 ml : 0.5 ml CDCl3
    1,8-cineole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.022 B 1.661 C 1.50 E 1.41 F 1.239 G 1.050 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

        820.92   2.055     33
        817.26   2.045     32
        811.40   2.031     36
        809.20   2.025     59
        808.11   2.023     62
        805.66   2.016     54
        801.39   2.006     30
        797.97   1.997     35
        796.88   1.994     35
        673.95   1.687     41
        672.97   1.684     41
        666.50   1.668     67
        665.04   1.665     53
        662.84   1.659     47
        656.62   1.643     36
        655.40   1.640     56
        613.28   1.535     37
        601.93   1.507    196
        594.12   1.487    148
        593.14   1.485    186
        565.43   1.415     33
        564.33   1.413     42
        563.11   1.410     47
        561.77   1.406     56
        560.67   1.403     48
        559.20   1.400     39
        558.11   1.397     34
        495.36   1.240   1000
        419.92   1.051    694
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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