4-Phenoxyphenol(831-82-3) MS
Product Name4-Phenoxyphenol
CAS831-82-3
Molecular FormulaC12H10O2
Molecular Weight186.21
InChIInChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKey ZSBDGXGICLIJGD-UHFFFAOYSA-N
SmilesC1(O)=CC=C(OC2=CC=CC=C2)C=C1
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MassMS-IW-3875 p-phenoxyphenol C12H10O2 (Mass of molecular ion: 186)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
27.0 2.7 38.0 1.2 39.0 6.6 50.0 2.7 51.0 10.8 52.0 1.9 53.0 3.5 54.0 1.1 55.0 1.5 63.0 3.0 64.0 1.8 65.0 3.9 77.0 14.7 78.0 9.3 79.0 1.2 81.0 6.3 82.0 1.1 93.0 2.5 103.0 1.2 109.0 14.4 110.0 5.3 115.0 3.5 127.0 1.4 128.0 3.2 129.0 7.4 130.0 1.7 131.0 2.5 141.0 1.1 157.0 8.9 158.0 6.6 185.0 4.2 186.0 100.0 187.0 13.3 188.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H10 O2 0.039 g : 0.5 ml CDCl3 p-phenoxyphenol 
Assign. Shift(ppm)
A 7.285 B 7.037 C 6.94 D 6.92 E 6.802 F 5.34
Hz ppm Int.2922.61 7.313 50 2920.29 7.308 305 2918.09 7.302 124 2915.28 7.295 67 2912.84 7.289 448 2911.62 7.286 438 2909.30 7.280 84 2906.25 7.272 157 2904.17 7.267 421 2901.86 7.262 69 2820.56 7.058 102 2819.46 7.055 199 2818.48 7.053 125 2813.48 7.040 122 2812.99 7.039 154 2812.13 7.037 328 2810.79 7.034 143 2805.91 7.021 86 2804.81 7.019 156 2803.71 7.016 96 2780.27 6.957 83 2779.54 6.955 94 2778.20 6.952 444 2776.98 6.949 545 2774.90 6.944 162 2773.07 6.939 88 2771.36 6.935 184 2769.41 6.930 1000 2768.43 6.928 555 2767.09 6.924 310 2762.82 6.914 262 2760.38 6.907 891 2756.84 6.899 118 2725.83 6.821 102 2722.29 6.812 874 2719.85 6.806 280 2715.58 6.795 221 2713.26 6.790 656 2709.72 6.781 65 2140.38 5.356 133 2132.45 5.336 199
in CDCl3
KBr disc
nujol mull
