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

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

¹H NMR	399.65 MHz
C₁₀ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
1,8-cineole

    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