4-Benzyloxybenzaldehyde(4397-53-9) MS
Product Name4-Benzyloxybenzaldehyde
CAS4397-53-9
Molecular FormulaC14H12O2
Molecular Weight212.24
InChIInChI=1S/C14H12O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2
InChIKey ZVTWZSXLLMNMQC-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1
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MassMS-NW-9452 p-(benzyloxy)benzaldehyde C14H12O2 (Mass of molecular ion: 212)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
39.0 2.8 51.0 1.5 63.0 1.5 65.0 9.5 89.0 1.4 91.0 100.0 92.0 8.2 212.0 10.7 213.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H12 O2 0.036 g : 0.5 ml CDCl3 p-(benzyloxy)benzaldehyde 
Assign. Shift(ppm)
A 9.876 B 7.830 C 7.42 D 7.39 E 7.35 F 7.070 G 5.138 CONFIRMED BY LAOCN PROGRAM
Hz ppm Int.3947.14 9.877 689 3136.60 7.849 73 3134.00 7.842 630 3132.02 7.837 201 3127.14 7.825 195 3125.15 7.820 696 3122.56 7.814 90 2974.85 7.444 91 2972.87 7.439 139 2971.19 7.435 66 2970.58 7.433 69 2966.46 7.423 441 2964.78 7.419 617 2963.87 7.417 541 2961.58 7.411 112 2958.83 7.404 143 2957.92 7.402 318 2957.00 7.399 516 2955.17 7.395 161 2952.58 7.388 39 2951.20 7.385 116 2949.98 7.382 153 2949.07 7.380 179 2947.69 7.376 49 2944.49 7.368 116 2942.66 7.364 164 2940.52 7.358 82 2939.00 7.354 76 2935.79 7.346 143 2935.33 7.345 135 2932.59 7.338 42 2930.76 7.334 39 2929.23 7.330 48 2927.25 7.325 30 2832.79 7.089 60 2830.05 7.082 522 2828.37 7.078 167 2823.33 7.065 151 2821.50 7.060 498 2818.76 7.054 65 2053.38 5.138 1000
in CDCl3
KBr disc
nujol mull
