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2941-78-8

2-氨基-5-甲基苯甲酸(2941-78-8)质谱(MS)

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=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

Smiles:C(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

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

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KBr disc

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nujol mull

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