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Methyl 3-methoxybenzoate

Product Name Methyl 3-methoxybenzoate

CAS5368-81-0

MFC9H10O3

MW166.17

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9049          
methyl m-methoxybenzoate
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.6
      28.0       1.2
      38.0       2.7
      39.0       2.0
      50.0       3.9
      51.0       2.2
      53.0       1.4
      59.0       1.2
      62.0       1.6
      63.0       7.8
      64.0       9.7
      65.0       1.8
      74.0       1.5
      75.0       1.8
      76.0       3.4
      77.0      23.3
      78.0       2.8
      79.0       2.2
      91.0       1.1
      92.0      14.7
      93.0       1.5
     107.0      34.5
     108.0       4.8
     119.0       1.2
     120.0       1.5
     121.0       1.3
     135.0     100.0
     136.0       9.8
     165.0       1.0
     166.0      68.0
     167.0       6.8

400 MHz in CDCl3

parameter in acetone-d6

¹H NMR	399.65 MHz
C₉ H₁₀ O₃	0.05 ml : 0.5 ml CDCl₃
methyl m-methoxybenzoate

    Assign.     Shift(ppm)

      A             7.622
      B             7.551
      C             7.319
      D             7.080
      E     *1      3.893
      F     *1      3.819

     Hz     ppm     Int.

   3051.76   7.637     82
   3050.78   7.634    106
   3050.29   7.633    108
   3049.32   7.630     92
   3044.19   7.618     99
   3043.09   7.615    115
   3042.60   7.614    121
   3041.63   7.611    108
   3019.78   7.557    114
   3018.19   7.553    114
   3017.21   7.550    124
   3015.75   7.546    108
   2933.35   7.340    101
   2932.86   7.339    101
   2925.66   7.321    120
   2925.05   7.320    167
   2917.36   7.300    110
   2916.99   7.299    109
   2835.45   7.095     90
   2834.47   7.093     95
   2832.76   7.089     90
   2831.79   7.086     90
   2827.27   7.075     78
   2826.17   7.072     79
   2824.46   7.068     76
   2823.49   7.065     76
   1556.15   3.894   1000
   1526.37   3.820    872

¹H NMR	300 MHz
C₉ H₁₀ O₃	1.0 M in acetone-d₆
methyl m-methoxybenzoate

    Parameter     ppm  Hz

      D(A)         7.518
      D(B)         7.171
      D(C)         7.396
      D(D)         7.583
       J(A,B)          2.73
       J(A,C)          0.46
       J(A,D)          1.52
       J(B,C)          8.29
       J(B,D)          1.07
       J(C,D)          7.66
     
      D(E)         3.841
     
      D(F)         3.873
     
     SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)

     Hz     ppm     Int.

   2280.31   7.601     40
   2278.94   7.596     63
   2277.71   7.592     46
   2272.68   7.576     52
   2271.28   7.571     81
   2270.08   7.567     61
   2257.32   7.524     72
   2255.77   7.519     71
   2255.00   7.517     80
   2254.65   7.515     79
   2253.49   7.512     66
   2226.91   7.423     60
   2218.75   7.396    108
   2211.02   7.370     59
   2157.09   7.190     55
   2156.00   7.187     56
   2154.35   7.181     54
   2153.26   7.178     52
   2148.83   7.163     43
   2147.74   7.159     44
   2146.09   7.154     43
   2145.00   7.150     40
   1161.89   3.873   1000
   1152.32   3.841   1000

in CDCl3

liquid film

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