622-60-6

1-乙氧基-4-甲基苯(622-60-6)ESR圖譜

產(chǎn)品名稱:1-乙氧基-4-甲基苯

CAS:622-60-6

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey: WSWPHHNIHLTAHB-UHFFFAOYSA-N

Smiles:C1(OCC)=CC=C(C)C=C1

Mass

MS-NW-5418          
p-methylphenetole
C9H12O              (Mass of molecular ion:    136)

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

      26.0       1.5
      27.0       9.2
      29.0       4.9
      38.0       1.1
      39.0       6.9
      41.0       1.2
      50.0       3.5
      51.0       7.1
      52.0       4.5
      53.0       4.4
      55.0       1.1
      62.0       1.0
      63.0       3.5
      64.0       1.1
      65.0       6.3
      66.0       1.0
      77.0      16.0
      78.0       4.9
      79.0      12.8
      80.0       8.4
      81.0       1.0
      89.0       2.1
      90.0       8.3
      91.0       9.4
      92.0       1.0
      93.0       1.3
     107.0      72.3
     108.0     100.0
     109.0       8.3
     121.0       1.4
     136.0      61.7
     137.0       6.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
p-methylphenetole

    Assign.     Shift(ppm)

      A             7.047
      B             6.788
      C             3.976
      D             2.267
      E             1.380
     
     J(C,E)=7.0HZ.

     Hz     ppm     Int.

    637.00   7.113    146
    636.38   7.106    156
    634.75   7.088     60
    634.06   7.080     49
    630.56   7.041     67
    629.88   7.034     72
    628.13   7.014    292
    627.56   7.008    251
    625.63   6.986     45
    625.00   6.979     39
    613.44   6.850     56
    610.88   6.821    404
    608.63   6.796     96
    604.38   6.749     68
    602.19   6.724    196
    366.94   4.098    113
    359.88   4.019    389
    352.88   3.941    409
    346.00   3.864    139
    203.00   2.267    930
    130.31   1.456    472
    123.38   1.378   1000
    116.31   1.299    414

in CDCl3