4-Hydroxy-2-methylindole(35320-67-3) IR2

Product Name4-Hydroxy-2-methylindole

CAS 35320-67-3

Molecular FormulaC9H9NO

Molecular Weight147.17

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

InChIKey XBVSGEGNQZAQPM-UHFFFAOYSA-N

SmilesN1C2=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

¹H NMR	399.65 MHz
C₉ H₉ N O	0.038 g : 0.5 ml DMSO-d₆
2-methyl-4-indolol

    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