3177-80-8

2-氨基-3-甲氧基苯甲酸(3177-80-8)质谱(MS)

产品名称:2-氨基-3-甲氧基苯甲酸

CAS:3177-80-8

分子式:C8H9NO3

分子量: 167.16

InChI:InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)

InChIKey: SXOPCLUOUFQBJV-UHFFFAOYSA-N

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

Mass

MS-IW-8678          
2-amino-3-methoxybenzoic acid
C8H9NO3             (Mass of molecular ion:    167)

   Source Temperature: 180 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       1.3
      28.0       3.0
      38.0       1.5
      39.0       3.3
      41.0       1.0
      50.0       2.2
      51.0       8.1
      52.0       9.9
      53.0       4.5
      55.0       1.0
      62.0       1.5
      63.0       3.5
      64.0       2.0
      65.0       5.5
      66.0       1.5
      67.0       1.3
      74.5       5.0
      75.0       1.3
      76.0       1.9
      77.0       2.5
      78.0      11.9
      79.0       5.3
      80.0       1.4
      83.5       1.5
      90.0       2.8
      91.0      10.4
      92.0       6.1
      93.0       4.2
      94.0       1.0
     106.0      35.7
     107.0       8.1
     108.0       1.3
     119.0       9.4
     120.0       6.0
     121.0      46.9
     122.0       4.2
     123.0       1.5
     134.0      49.1
     135.0       4.5
     148.0      19.5
     149.0      36.7
     150.0       6.2
     152.0      23.5
     153.0       2.0
     167.0     100.0
     168.0      10.0
     169.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₉ N O₃	0.039 g : 0.5 ml DMSO-d₆
2-amino-3-methoxybenzoic acid

    Assign.     Shift(ppm)

      A             7.359
      B             6.956
      C             6.515
      D             3.812

     Hz     ppm     Int.

   2946.17   7.372    139
   2944.95   7.369    146
   2938.08   7.352    155
   2936.71   7.349    149
   2784.88   6.969    116
   2783.51   6.965    120
   2776.95   6.949    133
   2775.73   6.946    125
   2611.39   6.535    138
   2603.45   6.515    216
   2595.52   6.495    125
   1523.74   3.813   1000

in DMSO-d6