4-Phenoxyaniline(139-59-3) IR1
Product Name4-Phenoxyaniline
CAS139-59-3
Molecular FormulaC12H11NO
Molecular Weight185.22
InChIInChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2
InChIKey WOYZXEVUWXQVNV-UHFFFAOYSA-N
SmilesC1(N)=CC=C(OC2=CC=CC=C2)C=C1
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MassMS-NW-7804 p-phenoxyaniline C12H11NO (Mass of molecular ion: 185)
Source Temperature: 170 °C Sample Temperature: 200 °C Direct, 75 eV
26.0 3.3 27.0 11.1 28.0 13.5 29.0 1.0 30.0 1.6 37.0 3.3 38.0 10.2 39.0 35.4 40.0 3.3 41.0 5.7 42.0 2.1 49.0 1.1 50.0 15.7 51.0 42.3 52.0 21.9 53.0 32.1 54.0 11.3 55.0 1.3 61.0 2.1 62.0 6.0 63.0 12.9 64.0 5.6 65.0 21.2 66.0 4.4 74.0 4.0 75.0 3.0 76.0 3.0 77.0 26.2 78.0 6.1 79.0 3.1 80.0 79.0 81.0 5.7 89.0 1.2 90.0 1.0 91.0 1.7 92.0 1.9 102.0 1.5 103.0 1.6 108.0 86.8 109.0 7.8 115.0 2.4 127.0 2.1 128.0 4.9 129.0 6.7 130.0 4.4 139.0 1.4 141.0 1.1 154.0 1.6 156.0 13.4 157.0 4.3 184.0 2.2 185.0 100.0 186.0 14.2 187.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H11 N O 0.034 g : 0.5 ml CDCl3 p-phenoxyaniline 
Assign. Shift(ppm)
A 7.269 B 7.006 C 6.927 D 6.867 E 6.665 F 3.5
Hz ppm Int.2916.14 7.297 57 2913.94 7.292 406 2911.74 7.286 147 2908.94 7.279 78 2906.49 7.273 571 2905.27 7.270 534 2902.83 7.264 85 2899.78 7.256 187 2897.83 7.251 530 2895.39 7.245 79 2807.98 7.027 133 2806.88 7.024 245 2805.79 7.021 141 2800.78 7.009 168 2799.56 7.006 407 2798.71 7.003 192 2793.21 6.990 109 2792.11 6.987 191 2791.02 6.984 105 2775.15 6.944 96 2774.41 6.943 104 2773.07 6.939 560 2771.85 6.936 660 2771.12 6.934 332 2769.78 6.931 173 2766.24 6.922 191 2765.26 6.920 315 2764.28 6.917 585 2763.18 6.915 484 2760.62 6.908 66 2752.56 6.888 78 2749.15 6.879 845 2746.95 6.874 276 2742.68 6.863 309 2740.36 6.857 1000 2736.94 6.849 112 2670.78 6.683 105 2667.48 6.675 1000 2665.16 6.669 296 2660.89 6.659 269 2658.69 6.653 741 2655.27 6.644 76
in CDCl3
KBr disc
nujol mull
