1-Methylindole(603-76-9) 1H NMR
Product Name1-Methylindole
CAS603-76-9
Molecular FormulaC9H9N
Molecular Weight131.17
InChIInChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey BLRHMMGNCXNXJL-UHFFFAOYSA-N
SmilesN1(C)C2=C(C=CC=C2)C=C1
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MassMS-NW-3569 1-methylindole C9H9N (Mass of molecular ion: 131)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 1.6 38.0 1.3 39.0 3.3 50.0 2.8 51.0 5.9 52.0 2.7 62.0 1.9 63.0 4.5 64.0 2.0 64.5 4.2 65.0 6.0 65.5 4.0 74.0 1.3 75.0 1.7 76.0 2.0 77.0 12.0 78.0 1.9 89.0 3.7 90.0 2.9 101.0 1.2 102.0 3.8 103.0 9.7 104.0 2.5 128.0 2.7 129.0 2.0 130.0 100.0 131.0 89.3 132.0 8.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 N 0.05 ml : 0.5 ml CDCl3 1-methylindole 
Assign. Shift(ppm)
A 7.600 B 7.215 C 7.178 D 7.082 E 6.900 F 6.434 G 3.576
Hz ppm Int.3042.72 7.614 74 3041.75 7.612 104 3040.65 7.609 78 3034.79 7.594 83 3033.94 7.592 111 3032.84 7.589 87 2890.14 7.232 43 2889.53 7.231 44 2888.92 7.229 48 2882.69 7.214 69 2881.96 7.212 120 2881.23 7.210 115 2880.62 7.208 120 2879.88 7.207 69 2875.73 7.196 78 2874.51 7.193 80 2869.02 7.179 94 2868.77 7.179 94 2867.55 7.176 105 2866.33 7.173 32 2860.84 7.159 46 2859.62 7.156 45 2837.52 7.101 88 2836.18 7.097 87 2830.81 7.084 70 2829.59 7.081 127 2828.37 7.078 88 2823.00 7.064 60 2821.66 7.061 59 2759.28 6.905 170 2756.23 6.897 179 2573.49 6.440 145 2572.63 6.438 149 2570.31 6.432 145 2569.58 6.430 146 1429.08 3.576 1000
in CDCl3
