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Back ChemicalBook Home>CAS DataBase List>106-22-9More Spectrum> Citronellol(106-22-9) Raman

Citronellol(106-22-9) Raman

Product NameCitronellol

CAS106-22-9

Molecular FormulaC10H20O

Molecular Weight156.27

InChIInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3

InChIKey QMVPMAAFGQKVCJ-UHFFFAOYSA-N

SmilesC(O)CC(C)CC/C=C(/C)\C


  • Mass

    MS-NW-0852          
    3,7-dimethyl-6-octen-1-ol
    C10H20O             (Mass of molecular ion:    156)
    

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

          27.0      10.8
          28.0       5.3
          29.0      10.7
          31.0       8.5
          32.0       1.1
          39.0      13.8
          40.0       3.0
          41.0      74.2
          42.0       7.8
          43.0      15.9
          45.0       2.1
          51.0       2.0
          52.0       1.0
          53.0       8.9
          54.0       2.6
          55.0      33.3
          56.0      20.5
          57.0      10.5
          59.0       1.5
          65.0       2.0
          66.0       1.0
          67.0      27.6
          68.0      24.5
          69.0     100.0
          70.0      14.8
          71.0      18.8
          72.0       1.4
          77.0       2.7
          78.0       1.0
          79.0       3.8
          80.0       4.0
          81.0      28.8
          82.0      30.7
          83.0       9.4
          84.0       4.1
          85.0       2.5
          86.0       2.1
          91.0       2.7
          92.0       1.7
          93.0       9.0
          94.0       2.5
          95.0      23.0
          96.0       6.5
          97.0       1.7
         105.0       1.7
         107.0       1.6
         109.0      11.0
         110.0       3.9
         111.0       3.3
         112.0       1.4
         119.0       1.1
         121.0       3.6
         123.0      17.8
         124.0       1.7
         136.0       2.3
         138.0       6.0
         139.0       1.4
         154.0       2.3
         156.0       8.4
         161.0       2.3
         204.0       1.0
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H20 O 0.05 ml : 0.5 ml CDCl3
    3,7-dimethyl-6-octen-1-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.099 B 3.660 C 2.14 D 1.99 E 1.682 F 1.603 G 1.78 to 1.500 J *1 1.59 K *1 1.38 L *2 1.34 M *2 1.177 N 0.904

         Hz     ppm     Int.
    

       2046.14   5.120     61
       2044.68   5.117     77
       2043.33   5.113     65
       2041.87   5.110     46
       2040.41   5.106     63
       2039.06   5.103    114
       2037.60   5.099    144
       2036.25   5.096    112
       2034.79   5.092     61
       2033.33   5.088     42
       2031.86   5.085     61
       2030.52   5.081     74
       2029.05   5.078     57
       1477.66   3.698     61
       1476.07   3.694     47
       1472.90   3.686    125
       1469.97   3.679     77
       1467.16   3.672    174
       1465.45   3.667    201
       1459.47   3.652    200
       1458.50   3.650    189
       1458.01   3.649    198
       1454.71   3.640     58
       1451.05   3.631    149
       1447.51   3.622     64
       1440.67   3.605     45
        810.30   2.028     51
        809.45   2.026     49
        803.22   2.010     76
        802.25   2.008     74
        801.03   2.005     72
        799.80   2.002     72
        798.71   1.999     72
        797.85   1.997     70
        793.70   1.986     96
        792.72   1.984     96
        789.55   1.976     68
        788.57   1.974     67
        786.50   1.968     61
        784.06   1.962     69
        783.20   1.960     70
        776.00   1.942     45
        682.74   1.709     74
        672.49   1.683    833
        671.39   1.680    770
        660.64   1.654     61
        655.27   1.640     81
        653.69   1.636     87
        652.95   1.634     89
        647.58   1.621    140
        646.00   1.617    110
        640.99   1.604    964
        635.50   1.591    141
        631.35   1.580     70
        630.49   1.578     70
        628.54   1.573    114
        622.19   1.557     87
        621.22   1.555     72
        616.70   1.544     44
        615.60   1.541     55
        614.62   1.538     51
        567.63   1.421     61
        561.52   1.406     53
        559.94   1.402    106
        554.57   1.388    120
        552.49   1.383     93
        548.71   1.373    114
        547.00   1.369    130
        545.29   1.365     67
        543.21   1.360     68
        541.38   1.355    134
        539.92   1.351     90
        538.94   1.349     73
        536.38   1.343     74
        535.16   1.340     82
        533.69   1.336     62
        531.98   1.332     72
        529.91   1.326     66
        526.86   1.319     59
        525.51   1.315     58
        520.26   1.302     50
        487.06   1.219     56
        480.96   1.204     62
        479.37   1.200     69
        477.66   1.196     66
        473.39   1.185     88
        471.56   1.180     66
        469.97   1.176     70
        467.65   1.171     50
        466.06   1.167     52
        463.99   1.161     83
        460.08   1.152     47
        458.25   1.147     41
        456.54   1.143     44
        364.50   0.913   1000
        360.96   0.904    131
        357.91   0.896    900
        354.37   0.887     58
    


  • 1H NMR 89.56 MHz
    C10 H20 O 0.04 ml : 0.5 ml CDCl3
    3,7-dimethyl-6-octen-1-ol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.10 B 3.668 C 1.98 D 1.68 E 1.60 F 1.83 to 1.05 G 0.908

         Hz     ppm     Int.
    

        463.69   5.178     61
        462.38   5.163     49
        458.13   5.116     90
        456.69   5.100    119
        455.25   5.084     96
        453.94   5.069     49
        451.06   5.037     54
        449.69   5.022     64
        448.19   5.005     52
        335.44   3.746    172
        332.69   3.715     49
        332.19   3.710     49
        331.81   3.705     51
        329.31   3.677    264
        328.63   3.670    288
        322.25   3.599    206
        189.19   2.113     47
        188.88   2.109     48
        182.06   2.033    130
        174.38   1.948    149
        167.13   1.867     67
        151.06   1.687    797
        150.00   1.675    779
        143.56   1.603   1000
        137.56   1.536    160
        136.81   1.528    175
        134.25   1.499    180
        132.69   1.482    236
        129.75   1.449    133
        127.94   1.429     82
        127.31   1.422     80
        125.88   1.406    180
        123.75   1.382    111
        121.13   1.353    108
        118.75   1.326    145
        117.50   1.312    139
        114.44   1.278     94
        112.44   1.256    161
        111.31   1.243    100
        110.69   1.236    107
        108.25   1.209     55
        107.69   1.203     60
        107.25   1.198     58
        105.81   1.182     91
        104.88   1.172    107
         84.31   0.942    613
         80.81   0.903    190
         78.31   0.875    565
         74.56   0.833     58
    

liquid film



4880 A,200 M,liquid



Citronellol(106-22-9) Raman Atlas of Related Products

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