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35320-67-3

4-羟基-2-甲基吲哚(35320-67-3)核磁图(1HNMR)

分子式:C9H9NO

分子量: 147.17

InChI:InChI=1S/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5,10-11H,1H3

InChIKey: XBVSGEGNQZAQPM-UHFFFAOYSA-N

Smiles:N1C2=C(C(O)=CC=C2)C=C1C

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    Mass

    MS-IW-4881          
    2-methyl-4-indolol
    C9H9NO              (Mass of molecular ion:    147)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          39.0       1.9
          42.0       1.1
          50.0       1.8
          51.0       3.5
          52.0       1.3
          58.5       5.9
          59.0       1.2
          63.0       1.5
          64.5       3.1
          65.0       3.1
          73.0       6.6
          73.5       7.8
          74.0       1.4
          75.0       1.0
          76.0       1.1
          77.0       2.2
          78.0       2.4
          89.0       2.2
          90.0       2.1
          91.0       5.4
          92.0       1.0
         104.0       3.7
         105.0       1.2
         116.0       1.1
         117.0       7.4
         118.0      18.8
         119.0       8.0
         128.0       1.0
         130.0       2.2
         132.0       1.0
         145.0       1.5
         146.0      85.5
         147.0     100.0
         148.0      10.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C9 H9 N O 0.038 g : 0.5 ml DMSO-d6
    2-methyl-4-indolol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.7 B 9.07 C 6.764 D 6.732 E 6.305 F 6.158 G 2.331

         Hz     ppm     Int.
    

       4271.07  10.688     96
       3625.60   9.072    817
       2713.25   6.790    106
       2705.37   6.770    247
       2698.04   6.752    293
       2693.65   6.741    186
       2692.55   6.738    268
       2691.81   6.736    203
       2685.77   6.721     82
       2684.85   6.719    103
       2683.76   6.716     63
       2524.22   6.317    226
       2522.94   6.313    225
       2517.07   6.299    221
       2515.79   6.295    209
       2463.22   6.164    141
       2462.49   6.162    200
       2461.39   6.159    214
       2460.29   6.157    196
       2459.38   6.154    130
        932.13   2.333   1000
        931.22   2.331    955
    

in DMSO-d6

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KBr disc

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nujol mull

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