Methyl phenoxyacetate(2065-23-8) ¹³C NMR

Product NameMethyl phenoxyacetate

CAS 2065-23-8

Molecular FormulaC9H10O3

Molecular Weight166.17

InChIInChI=1S/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey BZCKRPHEZOHHBK-UHFFFAOYSA-N

SmilesC(OC)(=O)COC1=CC=CC=C1

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Mass

MS-IW-8016          
methyl phenoxyacetate
C9H10O3             (Mass of molecular ion:    166)

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

      15.0       2.0
      29.0       1.5
      38.0       1.3
      39.0       5.7
      42.0       1.6
      45.0       7.2
      50.0       3.6
      51.0      13.5
      52.0       1.0
      59.0       2.4
      63.0       2.2
      64.0       1.3
      65.0       7.1
      66.0       1.0
      74.0       1.1
      76.0       1.5
      77.0      70.9
      78.0       6.1
      79.0      23.3
      80.0       1.5
      91.0       1.4
      93.0       1.1
      94.0       2.7
     105.0       1.0
     107.0     100.0
     108.0       9.3
     152.0       1.9
     166.0      78.6
     167.0       7.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₃	0.04 ml : 0.5 ml CDCl₃
methyl phenoxyacetate

    Assign.     Shift(ppm)

      A             7.27
      B          7.09 to 6.80
      C             4.61
      D             3.78

     Hz     ppm     Int.

    661.25   7.384     36
    660.06   7.371     47
    659.63   7.366     30
    658.19   7.350     30
    654.75   7.311     33
    653.19   7.294     93
    652.81   7.290     96
    651.38   7.274    102
    646.88   7.223     59
    645.19   7.204    122
    644.44   7.196     99
    632.88   7.067     34
    631.38   7.050     61
    630.25   7.038     69
    625.13   6.981     59
    624.31   6.971    103
    623.19   6.959     57
    622.00   6.946    152
    620.69   6.931    143
    618.31   6.904     51
    617.06   6.890     42
    615.38   6.872     39
    614.88   6.866     37
    614.06   6.857     35
    613.44   6.850     91
    612.75   6.842     71
    612.19   6.836     86
    413.25   4.615    486
    338.31   3.778   1000

in CDCl3