DL-alpha-Methoxyphenylacetic acid(7021-09-2) ¹³C NMR

Product NameDL-alpha-Methoxyphenylacetic acid

CAS 7021-09-2

Molecular FormulaC9H10O3

Molecular Weight166.17

InChIInChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)

InChIKey DIWVBIXQCNRCFE-UHFFFAOYSA-N

SmilesC1(C=CC=CC=1)C(OC)C(=O)O

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Mass

MS-NW-8771          
DL-alpha-methoxyphenylacetic acid
C9H10O3             (Mass of molecular ion:    166)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      29.0       1.0
      39.0       2.1
      50.0       1.6
      51.0       5.2
      52.0       1.1
      63.0       2.1
      65.0       1.4
      77.0      23.9
      78.0       3.3
      79.0       2.8
      89.0       3.1
      90.0       2.7
      91.0      13.3
      92.0       1.3
      93.0       1.4
     105.0       7.1
     106.0       1.3
     107.0       2.1
     121.0     100.0
     122.0       8.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₀ O₃	0.040 g : 0.5 ml CDCl₃
DL-alpha-methoxyphenylacetic acid

    Assign.     Shift(ppm)

      A            11.0
      B             7.436
      C          7.37 to 7.35
      D             4.779
      E             3.401

     Hz     ppm     Int.

   2977.45   7.451     97
   2975.46   7.446     90
   2972.87   7.439     65
   2972.11   7.437     76
   2971.50   7.436     77
   2969.51   7.431    157
   2967.99   7.427    156
   2965.39   7.420     30
   2954.56   7.393     35
   2950.44   7.383     64
   2948.76   7.379     61
   2946.01   7.372    155
   2945.25   7.370    175
   2943.57   7.366    101
   2942.20   7.362    113
   2939.61   7.356    255
   2938.08   7.352    240
   2935.03   7.345     59
   2933.20   7.340     36
   1909.94   4.780    277
   1359.25   3.402   1000

in CDCl3