4-Methoxyindole(4837-90-5) Raman
Product Name4-Methoxyindole
CAS4837-90-5
Molecular FormulaC9H9NO
Molecular Weight147.17
InChIInChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3
InChIKey LUNOXNMCFPFPMO-UHFFFAOYSA-N
SmilesN1C2=C(C(OC)=CC=C2)C=C1
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MassMS-IW-0086 4-methoxyindole C9H9NO (Mass of molecular ion: 147)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.8 38.0 1.3 39.0 2.3 50.0 4.6 51.0 7.0 52.0 1.8 62.0 2.6 63.0 4.2 64.0 1.0 65.0 1.1 73.5 1.8 74.0 1.8 75.0 2.1 76.0 6.4 77.0 11.9 78.0 5.2 87.0 1.0 88.0 1.2 89.0 7.3 90.0 2.2 102.0 1.3 103.0 4.2 104.0 50.1 105.0 4.2 116.0 11.3 117.0 3.2 118.0 2.7 132.0 86.5 133.0 8.2 146.0 3.9 147.0 100.0 148.0 10.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 N O 0.032 g : 0.5 ml CDCl3 4-methoxyindole 
Assign. Shift(ppm)
A 8.07 B 7.108 C 7.043 D 6.978 E 6.651 F 6.523 G 3.942 J(C,E)=3.2HZ J(A,E)=2.2HZ J(E,D)=1.0HZ
Hz ppm Int.2849.49 7.130 74 2841.43 7.110 160 2833.62 7.091 107 2817.63 7.051 90 2814.94 7.044 109 2814.45 7.043 111 2812.01 7.037 95 2793.33 6.990 93 2792.48 6.988 140 2791.75 6.986 91 2785.16 6.969 72 2784.30 6.967 106 2783.57 6.966 67 2661.25 6.659 70 2660.28 6.657 74 2659.06 6.654 82 2658.08 6.652 127 2656.98 6.649 77 2655.76 6.646 75 2654.91 6.644 68 2611.08 6.534 126 2603.39 6.515 120 1575.68 3.943 1000
in CDCl3
KBr disc
nujol mull
