Product Name2-Methylindole
CAS95-20-5
Molecular FormulaC9H9N
Molecular Weight131.17
InChIInChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
InChIKey BHNHHSOHWZKFOX-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C=C1C
Mass
MS-IW-4326 2-methylindole C9H9N (Mass of molecular ion: 131)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 1.5 50.0 1.4 51.0 4.0 52.0 1.7 62.0 1.0 63.0 2.6 64.0 1.8 64.5 5.3 65.0 6.5 65.5 5.0 75.0 1.2 76.0 1.5 77.0 10.7 78.0 1.4 89.0 3.0 90.0 2.2 101.0 1.3 102.0 3.8 103.0 10.6 104.0 2.0 128.0 3.8 129.0 1.9 130.0 100.0 131.0 90.6 132.0 8.9
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C9 H9 N | 16.9 mg : 0.5 ml CDCl3 |
2-methylindole |
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Assign. Shift(ppm) |
Hz ppm Int.
3005.00 7.520 78 3004.52 7.518 83 2997.56 7.501 89 2997.07 7.500 88 2996.09 7.497 89 2896.97 7.249 76 2889.53 7.231 99 2847.17 7.125 46 2845.70 7.121 54 2840.09 7.107 109 2838.62 7.103 103 2832.40 7.088 101 2830.32 7.082 161 2828.74 7.079 146 2822.63 7.063 122 2821.41 7.060 134 2815.55 7.046 61 2814.33 7.042 53 2478.52 6.202 68 957.52 2.396 1000
in CDCl3
KBr disc
2-Methylindole(95-20-5) 13C NMR Atlas of Related Products
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