620-17-7

3-乙基苯酚(620-17-7)質(zhì)譜(MS)

產(chǎn)品名稱:3-乙基苯酚

CAS:620-17-7

分子式:C8H10O

分子量: 122.16

InChI:InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3

InChIKey: HMNKTRSOROOSPP-UHFFFAOYSA-N

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

Mass

MS-NW-8681          
m-ethylphenol
C8H10O              (Mass of molecular ion:    122)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       3.0
      38.0       1.4
      39.0       7.3
      41.0       1.5
      50.0       1.7
      51.0       4.4
      52.0       1.7
      53.0       3.2
      55.0       1.9
      59.0       1.1
      60.0       1.6
      62.0       1.0
      63.0       2.6
      65.0       3.7
      66.0       1.4
      77.0      18.6
      78.0       3.4
      79.0       6.6
      91.0       4.9
      93.0       1.7
      94.0       5.8
      95.0       1.0
     103.0       3.3
     105.0       1.2
     107.0     100.0
     108.0       7.8
     121.0       5.2
     122.0      45.8
     123.0       4.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O	20.0 mg : 0.5 ml CDCl₃
m-ethylphenol

    Assign.     Shift(ppm)

      A             7.146
      B             6.779
      C             6.683
      D             6.652
      E             5.07
      F             2.595
      G             1.211

     Hz     ppm     Int.

   2863.77   7.166     83
   2856.20   7.147    168
   2848.39   7.128     98
   2714.72   6.793     31
   2714.11   6.792     60
   2713.13   6.789     89
   2712.52   6.788     90
   2711.67   6.786     68
   2710.94   6.784     34
   2706.54   6.773     55
   2705.57   6.770     81
   2704.96   6.769     82
   2704.10   6.767     61
   2673.34   6.690     65
   2672.73   6.688     74
   2672.24   6.687     63
   2671.75   6.686     77
   2671.14   6.684    106
   2670.65   6.683    126
   2670.17   6.682    111
   2669.19   6.679    103
   2668.58   6.678     92
   2663.70   6.666     78
   2663.21   6.664     77
   2662.84   6.663     79
   2661.13   6.659     51
   2660.64   6.658     47
   2660.16   6.657     46
   2655.76   6.646     69
   2655.27   6.644     67
   2654.79   6.643     69
   2653.20   6.639     52
   2652.71   6.638     48
   2652.22   6.637     49
   2026.25   5.071    417
   1048.58   2.624     63
   1041.02   2.605    190
   1033.45   2.586    194
   1025.76   2.567     67
    491.70   1.231    499
    484.13   1.212   1000
    476.44   1.193    485

in CDCl3