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5-甲氧基吲哚-3-乙酸

产品名称 5-甲氧基吲哚-3-乙酸

CAS号3471-31-6

分子式C11H11NO3

分子量205.21

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  • Mass

    MS-NW-7966          
    5-methoxy-3-indoleacetic acid
    C11H11NO3           (Mass of molecular ion:    205)
    

       Source Temperature: 210 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          28.0       1.3
          39.0       1.6
          50.0       1.0
          51.0       2.0
          52.0       1.3
          62.0       1.4
          63.0       3.3
          64.0       1.1
          75.0       1.2
          77.0       1.4
          80.0       1.8
          89.0       5.0
          90.0       4.3
         102.0       1.1
         106.0       1.2
         116.0       2.7
         117.0      10.5
         118.0       1.7
         128.0       1.1
         129.0       1.3
         130.0       1.2
         134.0       2.0
         144.0       2.3
         145.0      17.2
         146.0       2.8
         159.0       1.9
         160.0     100.0
         161.0      12.3
         162.0       5.4
         190.0       1.2
         205.0      52.4
         206.0       6.6
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C11H11NO3 0.039 g : 0.5 ml DMSO-d6
    5-methoxy-3-indoleacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 10.7 C 7.252 D 7.191 E 7.001 F 6.740 G 3.743 J 3.621

         Hz     ppm     Int.
    

       4857.17  12.150      5
       4292.98  10.739     55
       2903.57   7.263    137
       2894.78   7.241    148
       2875.73   7.194    109
       2873.16   7.187    106
       2799.89   7.004    120
       2797.33   6.998    121
       2699.69   6.753     89
       2697.31   6.747     84
       2690.90   6.731     80
       2688.52   6.725     77
       1566.73   3.919      6
       1518.37   3.798      6
       1496.21   3.743   1000
       1447.85   3.622    342
       1423.49   3.561      8
    


  • 1H NMR 89.56 MHz
    C11 H11 N O3 0.042 g : 0.5 ml DMSO-d6
    5-methoxy-3-indoleacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 12.2 B *1 10.7 C 7.24 D 7.21 E 7.00 F 6.75 G 3.743 J 3.623

         Hz     ppm     Int.
    

        962.30  10.745     54
        654.69   7.311    110
        654.20   7.305    109
        645.51   7.208    260
        642.97   7.180    107
        628.61   7.019    111
        626.17   6.992    125
        608.79   6.798    100
        606.54   6.773     78
        600.20   6.702     69
        597.75   6.675     55
        335.35   3.745   1000
        330.96   3.696     28
        330.27   3.688     27
        324.61   3.625    340
    

in DMSO-d6



KBr disc



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