85-91-6

2-(甲氨基)苯甲酸甲酯(85-91-6)ESR图谱

产品名称:2-(甲氨基)苯甲酸甲酯

CAS:85-91-6

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

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

¹H NMR	89.56 MHz
C₉ H₁₁ N O₂	0.05 ml : 0.5 ml CDCl₃
methyl o-(methylamino)benzoate

    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