2-Amino-5-methylbenzoic acid(2941-78-8) ¹³C NMR

Product Name2-Amino-5-methylbenzoic acid

CAS 2941-78-8

Molecular FormulaC8H9NO2

Molecular Weight151.16

InChIInChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)

InChIKey NBUUUJWWOARGNW-UHFFFAOYSA-N

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

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Mass

MS-NW-8102          
2-amino-5-methylbenzoic acid
C8H9NO2             (Mass of molecular ion:    151)

   Source Temperature: 150 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      18.0       3.1
      27.0       1.9
      28.0       3.4
      39.0       3.2
      41.0       1.1
      50.0       2.0
      51.0       6.8
      51.5       1.3
      52.0       6.1
      52.5       1.9
      53.0       4.0
      54.0       1.1
      63.0       1.8
      65.0       1.5
      66.0       1.0
      66.5       2.3
      67.0       1.4
      75.5       1.7
      76.0       1.8
      77.0      16.2
      78.0      13.8
      79.0       5.8
      89.0       1.3
     104.0      38.4
     105.0      11.0
     106.0      21.6
     107.0       2.3
     132.0       7.3
     133.0     100.0
     134.0      10.6
     150.0       1.3
     151.0      74.1
     152.0       6.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₉ N O₂	0.036 g : 0.5 ml DMSO-d₆
2-amino-5-methylbenzoic acid

    Assign.     Shift(ppm)

      A             8.4
      B             7.519
      C             7.064
      D             6.681
      E             2.149

     Hz     ppm     Int.

   3005.13   7.520    185
   3004.03   7.517    183
   2828.98   7.079    106
   2828.49   7.078    108
   2826.78   7.074    105
   2826.29   7.072    102
   2820.56   7.058    115
   2820.19   7.057    118
   2818.36   7.053    113
   2817.87   7.051    110
   2674.19   6.692    250
   2665.89   6.671    223
    859.25   2.151   1000

in DMSO-d6