6628-06-4

2-烯丙基-4-甲基苯酚(6628-06-4)質(zhì)譜(MS)

產(chǎn)品名稱:2-烯丙基-4-甲基苯酚

CAS:6628-06-4

分子式:C10H12O

分子量: 148.2

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

InChIKey: JVXJWGPWQBPZOI-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(C)C=C1CC=C

Mass

MS-NW-5755          
2-allyl-4-methylphenol
C10H12O             (Mass of molecular ion:    148)

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

      27.0       5.3
      38.0       1.2
      39.0       8.4
      40.0       1.3
      41.0       4.8
      43.0       1.8
      50.0       2.6
      51.0       7.9
      52.0       3.3
      53.0       4.0
      55.0       4.3
      62.0       1.3
      63.0       3.8
      64.0       3.2
      65.0       5.9
      66.0       1.7
      72.0       1.5
      73.0       2.1
      74.0       1.1
      75.0       1.0
      77.0      14.3
      78.0       5.3
      79.0       5.3
      89.0       1.7
      91.0      16.1
      92.0       4.9
      93.0       2.3
     102.0       1.3
     103.0       5.3
     104.0       2.7
     105.0      29.7
     106.0       3.1
     107.0       7.4
     108.0       1.2
     115.0      11.3
     116.0       2.5
     117.0       2.1
     119.0       6.3
     120.0       3.7
     121.0      11.1
     122.0       1.2
     127.0       1.8
     128.0       3.4
     129.0       5.3
     130.0       1.3
     131.0       8.2
     132.0       5.2
     133.0      56.7
     134.0       5.6
     145.0       2.7
     146.0       1.4
     147.0      15.6
     148.0     100.0
     149.0      11.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
2-allyl-4-methylphenol

    Assign.     Shift(ppm)

      A             6.90
      B             6.90
      C             6.690
      D             5.981
      E             5.13
      F             5.13
      G             4.8
      J             3.358
      K             2.245

     Hz     ppm     Int.

    624.63   6.975     32
    624.00   6.968     37
    621.81   6.943     90
    620.06   6.924     75
    619.44   6.917    121
    618.81   6.910    130
    618.13   6.902    132
    617.38   6.894    179
    616.69   6.886    207
    616.00   6.879    206
    613.75   6.853     69
    602.06   6.723    268
    598.50   6.683     40
    596.94   6.666     37
    593.31   6.625    117
    558.19   6.233     36
    551.81   6.162     70
    548.69   6.127     37
    545.63   6.093     41
    542.38   6.057     74
    540.63   6.037     52
    536.19   5.987     45
    534.31   5.966     98
    531.13   5.931     77
    528.13   5.897     57
    524.81   5.860    132
    518.69   5.792     78
    470.44   5.253     34
    468.44   5.231    113
    466.81   5.213    220
    465.31   5.196    172
    463.94   5.181    216
    462.50   5.165    110
    462.00   5.159     83
    460.63   5.144     37
    455.94   5.091     48
    454.44   5.075    101
    453.94   5.069     69
    452.94   5.058    108
    452.50   5.053    147
    451.25   5.039    167
    449.31   5.017    104
    447.69   4.999     50
    303.94   3.394    182
    302.50   3.378    111
    299.13   3.340     96
    297.63   3.324    171
    296.25   3.308     99
    201.06   2.245   1000

in CDCl3