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Anisole

Product Name Anisole

CAS100-66-3

MFC7H8O

MW108.14

¹³CNMR

Mass

MS-NW-0751          
anisole
C7H8O               (Mass of molecular ion:    108)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.2
      27.0       1.6
      28.0       1.4
      37.0       1.9
      38.0       4.7
      39.0      19.7
      40.0       1.0
      41.0       1.1
      43.0       1.3
      50.0       6.5
      51.0      11.4
      52.0       2.8
      57.0       1.0
      61.0       1.0
      62.0       2.2
      63.0       6.7
      64.0       3.9
      65.0      53.9
      66.0       4.0
      74.0       2.4
      75.0       1.2
      76.0       1.2
      77.0      15.2
      78.0      52.0
      79.0      11.8
      80.0       1.4
      92.0       1.5
      93.0      13.9
      94.0       2.8
     107.0       2.7
     108.0     100.0
     109.0       7.9

400 MHz in CDCl3

parameter N acetone-d6

¹H NMR	399.65 MHz
C₇ H₈ O	0.05 ml : 0.5 ml CDCl₃
anisole

    Assign.     Shift(ppm)

      A             7.259
      B             6.919
      C             6.880
      D             3.745

     Hz     ppm     Int.

   2911.87   7.287     37
   2909.42   7.280    190
   2908.57   7.278     87
   2907.35   7.275     77
   2904.54   7.268     48
   2902.10   7.262    257
   2900.63   7.258    243
   2898.32   7.253     51
   2895.39   7.245     91
   2894.17   7.242     93
   2893.31   7.240    238
   2890.87   7.234     44
   2773.93   6.941     61
   2772.83   6.939    114
   2771.85   6.936     78
   2766.48   6.923     84
   2765.50   6.920    194
   2764.65   6.918    110
   2759.28   6.905     59
   2758.18   6.902    111
   2757.08   6.899     97
   2755.98   6.896     62
   2754.64   6.893    243
   2753.54   6.890    273
   2752.56   6.888    157
   2751.34   6.885     86
   2747.80   6.876     89
   2746.83   6.874    139
   2745.73   6.871    247
   2744.75   6.868    219
   2742.19   6.862     43
   1496.70   3.746   1000

¹H NMR	300 MHz
C₇ H₈ O	1.0 M in acetone-d₆
anisole

    Parameter     ppm  Hz

      D(A)         6.904
      D(B)         7.259
      D(C)         6.901
       J(A,A')         2.71
       J(A,B)          8.30
       J(A,B')         0.40
       J(A,C)          1.05
       J(A',B)         0.40
       J(A',B')        8.30
       J(A',C)         1.05
       J(B,B')         1.83
       J(B,C)          7.40
       J(B',C)         7.40
     
      D(D)         3.741
     
     SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)

     Hz     ppm     Int.

   2186.08   7.287     82
   2184.16   7.281     30
   2182.22   7.274     11
   2179.61   7.265     50
   2178.22   7.261    125
   2177.16   7.257     94
   2175.71   7.252     29
   2175.05   7.250     25
   2173.83   7.246     21
   2169.93   7.233    110
   2167.39   7.225     16
   2076.82   6.923     91
   2075.69   6.919    163
   2072.85   6.909     58
   2071.20   6.904     44
   2070.01   6.900    124
   2069.12   6.897     94
   2068.10   6.894     78
   2067.17   6.891    110
   2066.25   6.887    126
   2063.61   6.879     43
   2062.62   6.875     42
   2061.59   6.872     20
   1122.31   3.741   1000

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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