5-METHOXY-2-METHYLINDOLE(1076-74-0) MS
Product Name5-METHOXY-2-METHYLINDOLE
CAS1076-74-0
Molecular FormulaC10H11NO
Molecular Weight161.2
InChIInChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3
InChIKey VSWGLJOQFUMFOQ-UHFFFAOYSA-N
SmilesN1C2=C(C=C(OC)C=C2)C=C1C
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MassMS-IW-0087 5-methoxy-2-methylindole C10H11NO (Mass of molecular ion: 161)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.8 39.0 3.6 42.0 1.1 50.0 2.3 51.0 3.7 52.0 3.2 53.0 1.2 62.0 1.7 63.0 3.8 64.0 1.8 65.0 3.8 74.0 1.0 75.0 1.6 76.0 2.8 77.0 4.4 78.0 3.9 80.5 3.3 89.0 4.3 90.0 4.4 91.0 7.8 92.0 1.0 102.0 1.7 103.0 3.1 104.0 1.1 116.0 2.8 117.0 18.5 118.0 55.0 119.0 5.1 128.0 1.2 130.0 5.0 131.0 1.2 132.0 3.4 145.0 3.4 146.0 66.9 147.0 7.7 160.0 7.8 161.0 100.0 162.0 11.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H11 N O 0.034 g : 0.5 ml CDCl3 5-methoxy-2-methylindole 
Assign. Shift(ppm)
A 7.67 B 7.089 C 6.991 D 6.757 E 6.125 F 3.819 G 2.345
Hz ppm Int.3065.80 7.672 21 2837.65 7.101 104 2828.98 7.079 118 2795.41 6.995 115 2792.97 6.989 123 2706.05 6.772 101 2703.49 6.765 97 2697.27 6.750 90 2694.82 6.743 87 2450.07 6.131 70 2449.10 6.129 106 2448.00 6.126 110 2447.02 6.123 104 2446.04 6.121 68 1526.61 3.820 1000 938.11 2.348 541 937.26 2.346 531
in CDCl3
KBr disc
nujol mull
