2-Amino-3,5-dimethylbenzoic acid(14438-32-5) MS

Product Name2-Amino-3,5-dimethylbenzoic acid

CAS 14438-32-5

Molecular FormulaC9H11NO2

Molecular Weight165.19

InChIInChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)

InChIKey GIMYRAQQQBFFFJ-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(C)=CC(C)=C1N

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Mass

MS-KW-0177          
3,5-dimethylanthranilic acid
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.8
      27.0       1.7
      28.0       3.7
      39.0       4.8
      41.0       2.4
      42.0       1.2
      46.5       1.9
      50.0       1.3
      51.0       4.1
      52.0       4.1
      53.0       2.9
      54.0       1.2
      58.5       9.5
      59.0       2.2
      59.5       2.5
      63.0       2.3
      64.0       1.0
      65.0       7.8
      66.0       1.6
      73.5       8.8
      74.0       2.3
      76.0       1.2
      77.0       6.5
      78.0       2.8
      79.0       1.2
      82.5       4.0
      89.0       2.3
      90.0       2.0
      91.0      14.1
      92.0       4.0
      93.0       2.0
     102.0       1.3
     103.0       1.6
     104.0      15.6
     105.0       1.8
     106.0       1.0
     116.0       3.1
     117.0       4.7
     118.0      43.4
     119.0      91.7
     120.0      13.6
     121.0       1.7
     132.0       1.4
     146.0      12.7
     147.0      57.2
     148.0       7.4
     164.0       1.9
     165.0     100.0
     166.0      10.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₁ N O₂	0.038 g : 0.5 ml DMSO-d₆
3,5-dimethylanthranilic acid

    Assign.     Shift(ppm)

      A             7.449
      B             7.002
      C     *1      2.139
      D     *1      2.087

     Hz     ppm     Int.

   2976.99   7.449    196
   2799.22   7.005    192
   2798.61   7.003    192
   2798.00   7.002    192
    855.10   2.140   1000
    847.32   2.121     30
    846.10   2.118     28
    842.13   2.108     33
    834.35   2.088    948

in DMSO-d6