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2065-23-8

苯氧乙酸甲酯(2065-23-8)核磁图(13CNMR)

产品名称:苯氧乙酸甲酯

CAS:2065-23-8

分子式:C9H10O3

分子量: 166.17

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

InChIKey: BZCKRPHEZOHHBK-UHFFFAOYSA-N

Smiles:C(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

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

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liquid film

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4880 A,200 M,liquid

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