2-(2-Methylphenoxy)aniline(3840-18-4) MS
Product Name2-(2-Methylphenoxy)aniline
CAS3840-18-4
Molecular FormulaC13H13NO
Molecular Weight199.25
InChIInChI=1S/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3
InChIKey JYJPXACGURQSCB-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1OC1=CC=CC=C1C
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MassMS-NW-6664 o-(o-tolyloxy)aniline C13H13NO (Mass of molecular ion: 199)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.1 28.0 1.4 38.0 1.1 39.0 7.4 41.0 1.8 50.0 1.3 51.0 3.6 52.0 4.1 53.0 4.6 54.0 1.1 63.0 3.3 64.0 2.0 65.0 11.9 66.0 1.9 77.0 2.8 78.0 1.6 79.0 3.1 80.0 17.3 81.0 1.4 89.0 2.0 90.0 1.1 91.0 10.2 92.0 5.2 93.0 42.1 94.0 3.6 104.0 1.1 106.0 5.3 107.0 1.8 108.0 20.1 109.0 2.7 128.0 1.6 129.0 1.1 130.0 1.3 153.0 1.1 154.0 1.7 155.0 1.0 156.0 1.8 167.0 1.4 170.0 2.5 180.0 3.6 181.0 6.4 182.0 4.9 183.0 4.5 184.0 5.0 185.0 1.1 196.0 1.3 198.0 6.0 199.0 100.0 200.0 14.4 201.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H13 N O 0.05 ml : 0.5 ml CDCl3 o-(o-tolyloxy)aniline 
Assign. Shift(ppm)
A 7.203 B 7.081 C 6.983 D 6.893 E 6.780 F 6.752 G 6.66 J 6.634 K 3.73 L 2.281
Hz ppm Int.2881.84 7.211 119 2875.49 7.196 129 2874.51 7.193 139 2838.62 7.103 54 2836.91 7.099 58 2831.05 7.084 120 2829.47 7.080 126 2823.24 7.065 88 2821.78 7.061 85 2797.61 7.001 109 2796.26 6.997 126 2790.16 6.982 160 2788.94 6.979 181 2782.71 6.963 69 2781.49 6.960 75 2763.31 6.915 84 2761.23 6.910 91 2760.99 6.909 91 2756.47 6.898 99 2755.25 6.895 129 2754.52 6.893 132 2753.42 6.890 138 2748.66 6.878 119 2746.70 6.873 133 2714.23 6.792 168 2713.13 6.789 182 2706.18 6.772 156 2705.08 6.769 169 2702.64 6.763 195 2701.29 6.760 218 2694.95 6.744 160 2693.36 6.740 174 2667.72 6.676 54 2665.77 6.671 99 2659.79 6.656 273 2657.59 6.650 407 2656.13 6.647 244 2650.76 6.633 158 2649.29 6.630 186 2648.19 6.627 76 2642.70 6.613 53 2641.36 6.610 56 1488.77 3.726 157 911.62 2.282 1000
in CDCl3
liquid film
