90-00-6

2-乙基苯酚(90-00-6)Raman光譜

產品名稱:2-乙基苯酚

CAS:90-00-6

分子式:C8H10O

分子量: 122.16

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

InChIKey: IXQGCWUGDFDQMF-UHFFFAOYSA-N

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

Mass

MS-NW-0550          
o-ethylphenol
C8H10O              (Mass of molecular ion:    122)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.9
      27.0       3.5
      28.0       1.2
      38.0       1.3
      39.0       7.0
      41.0       1.3
      50.0       2.1
      51.0       5.4
      52.0       2.1
      53.0       2.7
      55.0       1.0
      63.0       2.3
      65.0       3.2
      77.0      19.8
      78.0       4.6
      79.0      11.9
      91.0       4.3
      93.0       1.0
      94.0       1.5
     103.0       3.9
     104.0       1.7
     105.0       1.0
     107.0     100.0
     108.0       7.7
     121.0       3.0
     122.0      48.0
     123.0       4.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O	12.6 mg : 0.5 ml CDCl₃
o-ethylphenol

    Assign.     Shift(ppm)

      A             7.142
      B             7.081
      C             6.887
      D             6.757
      E             4.80
      F             2.639
      G             1.237

     Hz     ppm     Int.

   2859.38   7.155     62
   2858.64   7.153     61
   2857.91   7.152     71
   2851.81   7.136     73
   2851.20   7.135     73
   2850.46   7.133     85
   2850.10   7.132     80
   2838.87   7.104     50
   2837.16   7.100     45
   2831.42   7.085     89
   2830.93   7.084     88
   2829.59   7.081     79
   2829.22   7.080     77
   2823.49   7.065     71
   2821.78   7.061     61
   2760.13   6.907     71
   2758.91   6.904     75
   2752.69   6.888    120
   2751.46   6.885    124
   2745.24   6.870     55
   2744.02   6.867     55
   2704.83   6.768    111
   2703.61   6.765    110
   2696.90   6.749    100
   2696.53   6.748     99
   2695.68   6.746     99
   2695.31   6.745     89
   1920.17   4.805     44
   1066.04   2.668     63
   1058.59   2.649    194
   1051.03   2.630    200
   1043.46   2.611     70
    502.08   1.257    486
    494.51   1.238   1000
    492.07   1.232     37
    486.94   1.219    486

in CDCl3