2-Phenoxyaniline(2688-84-8) 13C NMR
Product Name2-Phenoxyaniline
CAS2688-84-8
Molecular FormulaC12H11NO
Molecular Weight185.22
InChIInChI=1S/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2
InChIKey NMFFUUFPJJOWHK-UHFFFAOYSA-N
SmilesC1(N)=CC=CC=C1OC1=CC=CC=C1
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MassMS-IW-2142 o-phenoxyaniline C12H11NO (Mass of molecular ion: 185)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.3 28.0 1.7 38.0 1.0 39.0 4.7 50.0 2.0 51.0 6.9 52.0 4.7 53.0 4.5 54.0 1.1 63.0 2.4 64.0 2.1 65.0 6.6 66.0 3.7 77.0 5.3 78.0 3.2 79.0 6.4 80.0 18.9 81.0 1.3 91.0 2.3 92.0 1.4 108.0 24.7 109.0 2.5 120.0 1.2 127.0 1.7 128.0 2.3 129.0 2.5 130.0 1.8 154.0 1.8 156.0 8.7 157.0 2.3 161.0 1.8 163.0 1.1 166.0 1.3 167.0 1.6 168.0 7.4 169.0 1.1 170.0 4.0 183.0 2.0 184.0 9.7 185.0 100.0 186.0 13.5 187.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H11 N O 0.037 g : 0.5 ml CDCl3 o-phenoxyaniline 
Assign. Shift(ppm)
A 7.289 B 7.042 C 6.97 D 6.96 E 6.865 F 6.801 G 6.704 J 3.69
Hz ppm Int.2923.95 7.317 63 2921.75 7.311 415 2920.90 7.309 176 2919.56 7.306 160 2917.97 7.302 35 2916.75 7.299 90 2915.16 7.295 230 2914.31 7.293 598 2913.09 7.290 570 2910.77 7.284 92 2907.59 7.276 201 2906.49 7.273 223 2905.64 7.271 572 2903.20 7.265 75 2822.14 7.062 138 2821.04 7.059 266 2819.95 7.057 160 2814.94 7.044 161 2814.45 7.043 178 2813.72 7.041 432 2812.87 7.039 205 2812.38 7.038 157 2807.37 7.025 112 2806.27 7.022 207 2805.18 7.020 117 2794.92 6.994 185 2793.46 6.990 197 2789.43 6.980 129 2788.70 6.978 153 2787.35 6.975 804 2786.25 6.972 1000 2785.64 6.971 635 2784.18 6.967 215 2780.64 6.958 236 2779.66 6.956 568 2778.56 6.953 787 2777.59 6.951 608 2775.02 6.944 71 2748.90 6.879 306 2747.56 6.875 307 2740.97 6.859 400 2739.50 6.855 378 2722.53 6.813 334 2721.07 6.809 374 2714.72 6.793 284 2713.13 6.789 297 2687.38 6.725 222 2685.79 6.721 205 2680.05 6.706 241 2679.44 6.705 241 2678.47 6.703 246 2677.86 6.701 209 2672.00 6.686 154 2670.53 6.683 144 1475.59 3.693 75
in CDCl3
KBr disc
nujol mull
