1,2-Di(phenoxymethyl)benzene(10403-74-4) 13C NMR
Product Name1,2-Di(phenoxymethyl)benzene
CAS10403-74-4
Molecular FormulaC20H18O2
Molecular Weight290.36
InChIInChI=1S/C20H18O2/c1-3-11-19(12-4-1)21-15-17-9-7-8-10-18(17)16-22-20-13-5-2-6-14-20/h1-14H,15-16H2
InChIKey JTWBMEAENZGSOQ-UHFFFAOYSA-N
SmilesC1(COC2=CC=CC=C2)=CC=CC=C1COC1=CC=CC=C1
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MassMS-IW-9129 o-bis(phenoxymethyl)benzene C20H18O2 (Mass of molecular ion: 290)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 1.4 38.0 1.4 39.0 10.5 40.0 1.9 41.0 5.2 50.0 1.9 51.0 6.9 52.0 1.8 53.0 2.7 55.0 8.3 63.0 3.8 64.0 1.3 65.0 12.1 66.0 4.6 69.0 17.4 76.0 1.7 77.0 13.5 78.0 17.5 79.0 1.6 81.0 5.3 82.0 1.3 82.5 1.0 83.0 1.0 89.0 2.3 91.0 29.8 92.0 2.4 93.0 1.4 94.0 21.6 95.0 1.5 97.0 1.2 102.0 2.2 103.0 22.0 104.0 37.9 105.0 4.3 115.0 6.5 116.0 3.1 117.0 1.0 119.0 2.6 127.0 1.5 128.0 8.7 129.0 35.1 130.0 3.9 141.0 17.3 142.0 2.4 145.0 1.0 152.0 4.3 153.0 5.9 154.0 7.7 155.0 4.8 165.0 5.6 166.0 2.4 167.0 9.7 168.0 4.5 169.0 29.9 170.0 4.3 177.0 3.0 178.0 8.8 179.0 34.2 180.0 5.5 181.0 6.5 182.0 4.0 195.0 23.6 196.0 100.0 197.0 72.5 198.0 10.3 290.0 18.3 291.0 4.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H18 O2 0.037 g : 0.5 ml CDCl3 o-bis(phenoxymethyl)benzene 
Assign. Shift(ppm)
A 7.513 B 7.351 C 7.269 D 6.96 E 6.95 F 5.154
Hz ppm Int.3007.45 7.526 113 3004.03 7.517 118 3001.83 7.512 128 2998.41 7.503 147 2942.38 7.363 227 2938.84 7.354 139 2936.65 7.349 153 2933.35 7.340 196 2915.89 7.297 45 2913.94 7.292 230 2911.74 7.286 87 2909.42 7.280 43 2906.86 7.274 339 2906.13 7.272 201 2905.15 7.270 326 2902.95 7.264 64 2900.27 7.258 99 2898.93 7.254 111 2897.83 7.251 313 2895.39 7.245 51 2789.55 6.980 77 2786.87 6.974 495 2786.01 6.972 360 2784.67 6.968 178 2781.13 6.959 90 2780.15 6.957 176 2778.93 6.954 520 2777.95 6.951 514 2776.86 6.949 197 2775.39 6.945 63 2771.73 6.936 84 2770.63 6.933 123 2769.65 6.931 71 2768.43 6.928 36 2059.94 5.155 1000
in CDCl3
