2-ALLYL-6-METHYLPHENOL(3354-58-3) ¹³C NMR

Product Name2-ALLYL-6-METHYLPHENOL

CAS 3354-58-3

Molecular FormulaC10H12O

Molecular Weight148.2

InChIInChI=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

SmilesC1(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

¹H NMR	89.56 MHz
C₁₀ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
2-allyl-6-methylphenol

    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