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
3-Methylindole(83-34-1) IR1 Atlas of Related Products
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