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3354-58-3

2-烯丙基-6-甲基苯酚(3354-58-3)Raman光谱

分子式:C10H12O

分子量: 148.2

InChI:InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3

InChIKey: WREVCRYZAWNLRZ-UHFFFAOYSA-N

Smiles:C1(O)=C(CC=C)C=CC=C1C

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    Mass

    MS-NW-5749          
    2-allyl-6-methylphenol
    C10H12O             (Mass of molecular ion:    148)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       5.7
          38.0       1.3
          39.0      10.4
          40.0       1.3
          41.0       5.6
          43.0       2.8
          50.0       3.2
          51.0       8.7
          52.0       3.2
          53.0       4.6
          55.0       3.4
          57.5       1.0
          62.0       1.6
          63.0       4.6
          64.0       3.2
          65.0       6.8
          66.0       1.6
          72.0       1.5
          73.0       2.5
          74.0       1.0
          75.0       1.1
          76.0       1.0
          77.0      16.7
          78.0       6.6
          79.0       5.7
          89.0       2.0
          91.0      19.3
          92.0       4.9
          93.0       2.1
         102.0       1.6
         103.0       6.3
         104.0       3.3
         105.0      32.3
         106.0       3.4
         107.0       5.0
         108.0       1.4
         115.0      15.9
         116.0       2.8
         117.0       2.5
         119.0       6.5
         120.0       4.3
         121.0      13.2
         122.0       1.2
         127.0       2.2
         128.0       4.7
         129.0       8.0
         130.0       1.7
         131.0       9.1
         132.0       6.1
         133.0      62.4
         134.0       6.7
         145.0       3.8
         146.0       1.9
         147.0      15.9
         148.0     100.0
         149.0      11.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H12 O 0.04 ml : 0.5 ml CDCl3
    2-allyl-6-methylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.00 B *1 6.94 C 6.79 D 5.98 E 5.17 F 5.14 G 4.93 J 3.386 K 2.223

         Hz     ppm     Int.
    

        632.88   7.067     39
        632.56   7.063     41
        632.19   7.059     42
        630.56   7.041     50
        630.19   7.037     50
        629.81   7.033     49
        626.88   7.000     53
        625.13   6.981     99
        624.50   6.973    112
        623.81   6.966    137
        619.69   6.920    169
        619.25   6.915    175
        617.44   6.895     68
        616.88   6.888     63
        612.69   6.842    255
        605.88   6.766    108
        605.06   6.756     90
        598.19   6.680     49
        558.31   6.234     34
        552.00   6.164     67
        548.75   6.128     36
        545.81   6.095     42
        542.44   6.057     72
        540.81   6.039     51
        536.25   5.988     43
        534.50   5.969     94
        531.25   5.932     65
        528.31   5.899     57
        525.00   5.862    123
        518.81   5.793     76
        473.00   5.282     39
        471.06   5.260    115
        469.44   5.242    208
        467.81   5.224    118
        467.44   5.220    115
        466.00   5.204    196
        464.56   5.188    105
        464.06   5.182     82
        462.69   5.167     36
        457.94   5.114     46
        456.44   5.097     99
        455.94   5.091     78
        455.56   5.087     77
        454.56   5.076    138
        453.88   5.068    141
        453.13   5.060     82
        452.00   5.047     95
        450.31   5.029     40
        441.69   4.932    161
        307.69   3.436    104
        306.38   3.421    190
        304.88   3.405    111
        301.56   3.368    101
        300.13   3.352    179
        298.56   3.334    100
        199.06   2.223   1000
    

in CDCl3

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liquid film

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