578-58-5

2-甲基苯甲醚(578-58-5)質譜(MS)

產品名稱:2-甲基苯甲醚

CAS:578-58-5

分子式:C8H10O

分子量: 122.16

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

InChIKey: DTFKRVXLBCAIOZ-UHFFFAOYSA-N

Smiles:C1(OC)=CC=CC=C1C

Mass

MS-NW-0888          
o-methoxytoluene
C8H10O              (Mass of molecular ion:    122)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.7
      18.0       1.0
      26.0       1.5
      27.0       9.5
      28.0       2.7
      37.0       1.2
      38.0       4.0
      39.0      18.4
      40.0       1.6
      41.0       3.6
      50.0       7.4
      51.0      16.1
      52.0       8.9
      53.0       7.4
      54.0       2.4
      61.0       1.3
      62.0       2.8
      63.0       7.8
      64.0       2.1
      65.0      12.4
      66.0       1.1
      67.0       1.0
      74.0       1.3
      77.0      45.2
      78.0      12.0
      79.0      28.2
      80.0       2.6
      89.0       6.3
      90.0       9.2
      91.0      41.6
      92.0      12.9
      93.0       3.1
     107.0      61.0
     108.0       6.5
     121.0      17.8
     122.0     100.0
     123.0       8.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
o-methoxytoluene

    Assign.     Shift(ppm)

      A             7.13
      B             7.10
      C             6.883
      D             6.772
      E             3.760
      F             2.213

     Hz     ppm     Int.

   2859.25   7.155     50
   2858.76   7.154     52
   2857.54   7.151     61
   2857.06   7.149     57
   2851.32   7.135    101
   2850.10   7.132    116
   2849.49   7.130    125
   2843.26   7.115    151
   2841.92   7.112    172
   2835.45   7.095    129
   2834.47   7.093    115
   2738.40   6.852     94
   2737.30   6.850    103
   2730.96   6.834    157
   2729.86   6.831    172
   2723.63   6.816     77
   2722.53   6.813     82
   2710.69   6.783    161
   2702.51   6.763    148
   1502.81   3.761   1000
    884.64   2.214    740

in CDCl3