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85-91-6

2-(甲氨基)苯甲酸甲酯(85-91-6)ESR图谱

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3

InChIKey: GVOWHGSUZUUUDR-UHFFFAOYSA-N

Smiles:C(OC)(=O)C1=CC=CC=C1NC

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    Mass

    MS-NW-1747          
    methyl o-(methylamino)benzoate
    C9H11NO2            (Mass of molecular ion:    165)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       6.5
          18.0       1.1
          27.0       2.6
          28.0       5.2
          29.0       2.0
          30.0       7.5
          37.0       1.6
          38.0       4.0
          39.0       9.7
          41.0       1.9
          42.0       1.4
          50.0       8.6
          51.0      18.8
          51.5       1.3
          52.0       7.8
          52.5       2.7
          53.0       2.1
          62.0       2.8
          63.0      10.1
          64.0      10.3
          65.0       8.1
          66.0       2.4
          66.5       6.4
          67.0       2.7
          74.0       3.7
          75.0       3.4
          76.0       5.8
          77.0      52.4
          78.0      30.8
          79.0      12.8
          80.0       1.1
          82.5       1.0
          90.0       2.9
          91.0      11.2
          92.0      11.0
          93.0       1.6
         103.0       1.1
         104.0      71.3
         105.0      97.8
         106.0      18.9
         107.0       1.8
         116.0       5.4
         119.0       6.9
         120.0       3.0
         132.0      51.9
         133.0      31.4
         134.0      25.6
         135.0       2.4
         148.0       1.6
         150.0       4.3
         151.0       4.1
         164.0       1.4
         165.0     100.0
         166.0      10.4
         167.0       1.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H11 N O2 0.05 ml : 0.5 ml CDCl3
    methyl o-(methylamino)benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.880 B 7.6 C 7.35 D 6.62 E 6.57 F 3.820 G 2.875

         Hz     ppm     Int.
    

        711.00   7.939     54
        710.44   7.933     54
        709.25   7.920     58
        708.81   7.915     54
        703.13   7.851     60
        702.63   7.846     62
        701.31   7.831     66
        700.88   7.826     63
        660.56   7.376     34
        658.69   7.355     53
        657.38   7.341     33
        651.88   7.279     37
        650.13   7.260     33
        598.06   6.678     80
        595.75   6.652     70
        594.56   6.639     35
        588.88   6.576     98
        587.81   6.564     73
        586.75   6.552     42
        580.88   6.486     38
        579.69   6.473     30
        342.19   3.821   1000
        260.06   2.904    314
        255.00   2.848    302
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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OXIDATION WITH PBA IN ETHANOL

OXIDATION WITH PERBENZOIC ACID IN DIOXANE

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