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Back ChemicalBook Home>CAS DataBase List>4389-50-8More Spectrum> 2-Amino-6-methylbenzoic acid(4389-50-8) MS

4389-50-8

2-Amino-6-methylbenzoic acid(4389-50-8) MS

Molecular FormulaC8H9NO2

Molecular Weight151.16

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

InChIKey XHYVBIXKORFHFM-UHFFFAOYSA-N

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

  • 2-Amino-6-methylbenzoic acid(4389-50-8) MS
    Mass

    MS-NW-6845          
    2-amino-6-methylbenzoic acid
    C8H9NO2             (Mass of molecular ion:    151)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       2.1
          27.0       2.6
          28.0       2.1
          37.0       1.2
          38.0       2.7
          39.0       7.1
          40.0       1.2
          41.0       1.9
          42.0       1.0
          44.0       5.0
          45.0       1.2
          50.0       3.0
          51.0       7.7
          51.5       1.5
          52.0       6.9
          52.5       5.0
          53.0       4.4
          53.5       1.9
          54.0       1.7
          62.0       1.7
          63.0       3.6
          64.0       1.8
          65.0       3.4
          66.0       2.0
          66.5       4.2
          67.0       1.6
          75.0       1.2
          76.0       2.0
          77.0      15.2
          78.0      16.5
          79.0       8.8
          80.0       1.8
          89.0       2.4
          90.0       2.2
          91.0       1.3
         104.0      21.0
         105.0      18.0
         106.0      39.8
         107.0      13.9
         108.0       1.2
         133.0     100.0
         134.0      11.8
         151.0      59.4
         152.0       5.8
    

400 MHz in DMSO-d6

  • 2-Amino-6-methylbenzoic acid(4389-50-8) MS

    1H NMR 399.65 MHz
    C8 H9 N O2 0.035 g : 0.5 ml DMSO-d6
    2-amino-6-methylbenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.008 B 6.591 C 6.385 D 2.347

         Hz     ppm     Int.
    

       2808.99   7.029    123
       2801.51   7.010    166
       2800.75   7.009    164
       2793.43   6.990    146
       2638.24   6.602    147
       2630.16   6.582    136
       2555.39   6.395    146
       2548.07   6.376    140
        938.11   2.348   1000
    

in CDCl3

in DMSO-d6

  • 2-Amino-6-methylbenzoic acid(4389-50-8) MS

  • 2-Amino-6-methylbenzoic acid(4389-50-8) MS

KBr disc

  • 2-Amino-6-methylbenzoic acid(4389-50-8) MS

nujol mull

  • 2-Amino-6-methylbenzoic acid(4389-50-8) MS

  • 2-Amino-6-methylbenzoic acid(4389-50-8) MS

2-Amino-6-methylbenzoic acid(4389-50-8) MS Atlas of Related Products

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