1745-81-9

2-烯丙基酚(1745-81-9)質(zhì)譜(MS)

產(chǎn)品名稱:2-烯丙基酚

CAS:1745-81-9

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2

InChIKey: QIRNGVVZBINFMX-UHFFFAOYSA-N

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

Mass

MS-NW-3441          
o-allylphenol
C9H10O              (Mass of molecular ion:    134)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.6
      26.0       5.6
      27.0      24.7
      28.0       1.1
      29.0       3.6
      37.0       4.6
      38.0      11.7
      39.0      48.4
      40.0       4.4
      41.0       4.9
      43.0       3.1
      49.0       2.5
      50.0      18.6
      51.0      37.8
      52.0      15.0
      53.0      14.2
      54.0       1.1
      55.0      10.3
      61.0       4.3
      62.0       9.2
      63.0      20.5
      64.0       5.7
      65.0      15.2
      66.0       7.6
      67.0       1.2
      68.0       1.7
      73.0       1.5
      74.0       7.6
      75.0       5.8
      76.0       4.1
      77.0      62.7
      78.0      38.2
      79.0      28.3
      80.0       2.8
      81.0       1.4
      85.0       1.0
      86.0       1.8
      87.0       2.3
      88.0       1.2
      89.0      12.0
      90.0       7.8
      91.0      73.7
      92.0       8.3
      94.0       5.7
     102.0       3.0
     103.0      12.6
     104.0       3.6
     105.0      33.9
     106.0       6.5
     107.0      31.7
     108.0       2.9
     114.0       1.3
     115.0      45.9
     116.0      10.5
     117.0      13.7
     118.0       4.6
     119.0      36.3
     120.0       3.3
     131.0       8.4
     132.0       3.3
     133.0      38.5
     134.0     100.0
     135.0      10.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O	10.6 MOL % in CDCl₃
o-allylphenol

    Assign.     Shift(ppm)

      A          7.12 to 7.05
      B             6.89
      C             6.78
      D             5.971
      E             5.4
      F             5.11
      G             3.380

     Hz     ppm     Int.

    638.13   7.126    305
    637.50   7.119    355
    634.94   7.090    489
    634.56   7.086    389
    633.06   7.069    409
    632.56   7.063    565
    632.00   7.057    341
    631.44   7.051    379
    630.88   7.045    663
    630.31   7.038    498
    628.56   7.019    819
    621.06   6.935    473
    619.44   6.917    745
    614.31   6.860    339
    612.94   6.844    443
    609.38   6.805    665
    608.31   6.793    421
    602.25   6.725    319
    601.75   6.719    302
    600.25   6.703    275
    557.44   6.225    168
    551.06   6.153    291
    548.00   6.119    162
    544.88   6.084    175
    541.63   6.048    300
    539.88   6.029    209
    535.50   5.980    204
    533.50   5.957    384
    530.38   5.923    313
    527.31   5.888    245
    524.06   5.852    540
    517.94   5.784    355
    481.56   5.377    100
    466.19   5.206    493
    464.63   5.188    971
    463.63   5.177    536
    463.00   5.170    593
    462.19   5.161   1000
    460.75   5.145    532
    460.25   5.140    332
    452.75   5.056    442
    452.19   5.050    286
    451.31   5.040    318
    450.75   5.033    678
    449.00   5.014    585
    447.00   4.992    431
    307.06   3.429    423
    305.75   3.414    718
    304.31   3.398    422
    300.75   3.359    403
    299.50   3.345    690
    298.13   3.329    397

in CDCl3