4-BENZYLOXYBENZONITRILE(52805-36-4) 1H NMR
Product Name4-BENZYLOXYBENZONITRILE
CAS52805-36-4
Molecular FormulaC14H11NO
Molecular Weight209.24
InChIInChI=1S/C14H11NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,11H2
InChIKey UDAOJHAASAWVIQ-UHFFFAOYSA-N
SmilesC(#N)C1=CC=C(OCC2=CC=CC=C2)C=C1
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MassMS-IW-4021 p-(benzyloxy)benzonitrile C14H11NO (Mass of molecular ion: 209)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 2.3 51.0 1.2 63.0 1.5 65.0 8.9 89.0 1.5 90.0 1.6 91.0 100.0 92.0 8.7 209.0 8.5 210.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H11 N O 0.038 g : 0.5 ml CDCl3 p-(benzyloxy)benzonitrile 
Assign. Shift(ppm)
A 7.564 B 7.40 C 7.36 D 7.009 E 5.100
Hz ppm Int.3030.40 7.583 73 3027.83 7.577 511 3025.63 7.571 166 3020.87 7.559 175 3018.80 7.554 592 3016.11 7.547 71 2965.82 7.422 63 2964.60 7.418 60 2960.45 7.408 660 2957.52 7.401 476 2955.93 7.397 471 2955.20 7.395 500 2952.51 7.388 68 2949.83 7.382 75 2948.24 7.378 102 2947.02 7.375 103 2944.58 7.368 110 2941.89 7.362 100 2941.28 7.360 103 2939.94 7.357 85 2937.74 7.351 72 2935.79 7.346 102 2933.96 7.342 36 2932.74 7.339 45 2931.03 7.334 40 2807.74 7.026 73 2805.05 7.019 508 2802.86 7.014 159 2798.10 7.002 155 2796.02 6.997 493 2793.33 6.990 56 2038.33 5.101 1000
in CDCl3
KBr disc
nujol mull
