3-Methylindole(83-34-1) IR3

Product Name3-Methylindole

CAS 83-34-1

Molecular FormulaC9H9N

Molecular Weight131.17

InChIInChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3

InChIKey ZFRKQXVRDFCRJG-UHFFFAOYSA-N

SmilesN1C2=C(C=CC=C2)C(C)=C1

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Mass

MS-NW-8854          
3-methylindole
C9H9N               (Mass of molecular ion:    131)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      28.0       1.1
      39.0       2.3
      50.0       2.6
      51.0       6.7
      52.0       2.7
      62.0       1.1
      63.0       2.7
      64.0       4.9
      65.0       7.3
      65.5       2.9
      74.0       1.7
      75.0       2.5
      76.0       2.8
      77.0      14.6
      78.0       2.1
      89.0       1.2
      90.0       1.0
     101.0       1.5
     102.0       5.3
     103.0      10.1
     104.0       1.7
     117.0       1.1
     128.0       3.2
     129.0       2.3
     130.0     100.0
     131.0      62.3
     132.0       5.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N	0.038 g : 0.5 ml CDCl₃
3-methylindole

    Assign.     Shift(ppm)

      A             7.6
      B             7.571
      C             7.249
      D             7.174
      E             7.116
      F             6.853
      G             2.313

     Hz     ppm     Int.

   2903.20   7.265     70
   2902.34   7.263    102
   2901.37   7.260     79
   2895.26   7.245    114
   2894.29   7.243    178
   2893.31   7.240    127
   2875.24   7.195     67
   2874.02   7.192     76
   2868.29   7.178    111
   2867.07   7.174    133
   2860.35   7.158     80
   2859.01   7.154     76
   2850.83   7.134    119
   2849.61   7.131    120
   2843.87   7.116     79
   2843.02   7.114    141
   2841.92   7.112    115
   2836.06   7.097     63
   2834.96   7.094     60
   2740.48   6.858    109
   2739.38   6.855    143
   2738.28   6.852    145
   2737.18   6.849    115
    924.93   2.315    883
    923.83   2.312   1000

in CDCl3