Product Name3-Methylindole
CAS83-34-1
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

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 | |
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Assign. Shift(ppm) |
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

CCl4 solution

KBr disc

nujol mull


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