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5-甲氧基吲哚-2-羧酸

CAS号4382-54-1

分子式C10H9NO3

分子量191.18

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  • Mass

    MS-IW-9334          
    5-methoxy-2-indolecarboxylic acid
    C10H9NO3            (Mass of molecular ion:    191)
    

       Source Temperature: 170 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          18.0       1.2
          28.0       3.5
          38.0       1.8
          39.0       2.6
          44.0       2.1
          50.0       5.8
          51.0       6.8
          52.0       3.4
          53.0       1.8
          58.0       1.0
          62.0       3.2
          63.0       3.5
          64.0       1.4
          65.0       2.5
          74.0       1.6
          75.0       6.2
          76.0       8.6
          77.0       2.8
          86.0       1.5
          86.5       8.6
          87.0       3.4
          88.0       2.2
          89.0       2.0
          90.0       2.8
          91.0       1.5
          95.5       1.7
         101.0       1.3
         102.0      16.7
         103.0       3.6
         104.0       2.2
         114.0       4.6
         115.0       3.1
         116.0       3.8
         117.0       1.5
         119.0       7.4
         130.0      26.1
         131.0       3.7
         132.0       2.4
         142.0       2.2
         144.0       1.5
         145.0       5.7
         146.0       3.8
         147.0       3.3
         157.0       1.0
         158.0      50.1
         159.0       5.5
         160.0       1.5
         173.0     100.0
         174.0      12.5
         175.0       1.4
         176.0       1.8
         190.0       1.7
         191.0      59.1
         192.0       6.8
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C10 H9 N O3 0.041 g : 0.5 ml DMSO-d6
    5-methoxy-2-indolecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.9 B 11.6 C 7.370 D 7.114 E 7.045 F 6.928 G 3.769

         Hz     ppm     Int.
    

       4656.09  11.651     73
       2949.35   7.380    112
       2940.37   7.358    126
       2939.64   7.356     97
       2844.39   7.118    128
       2842.01   7.112    132
       2817.10   7.049    128
       2816.18   7.047    140
       2814.90   7.044    141
       2813.99   7.042    124
       2774.42   6.943    126
       2771.86   6.936    108
       2765.45   6.920    114
       2763.07   6.914    107
       1506.36   3.770   1000
    


  • 1H NMR 89.56 MHz
    C10 H9 N O3 0.039 g : 0.5 ml DMSO-d6
    5-methoxy-2-indolecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 13. B *1 11.6 C 7.353 D 7.106 E 7.030 F 6.923 G 3.764 J(B,E)=2.1HZ J(C,E)=0.7HZ J(C,F)=8.9HZ J(D,F)=2.5HZ

         Hz     ppm     Int.
    

       1038.81  11.600     64
        663.85   7.413     86
        655.14   7.316    133
        637.79   7.122    106
        635.49   7.096    140
        631.13   7.048    121
        630.36   7.039    132
        628.99   7.024    137
        628.14   7.014    123
        624.72   6.976    142
        622.24   6.948    104
        615.83   6.877     87
        613.35   6.849     74
        337.18   3.765   1000
        332.06   3.708     27
    

KBr disc



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