4389-50-8

2-氨基-6-甲基苯甲酸(4389-50-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-氨基-6-甲基苯甲酸

CAS:4389-50-8

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=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

Smiles:C(O)(=O)C1=C(C)C=CC=C1N

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

¹H NMR	399.65 MHz
C₈ H₉ N O₂	0.035 g : 0.5 ml DMSO-d₆
2-amino-6-methylbenzoic acid

    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