3-Phenoxybenzaldehyde(39515-51-0) MS
Product Name3-Phenoxybenzaldehyde
CAS39515-51-0
Molecular FormulaC13H10O2
Molecular Weight198.22
InChIInChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H
InChIKey MRLGCTNJRREZHZ-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC(OC2=CC=CC=C2)=C1
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MassMS-NW-5680 m-phenoxybenzaldehyde C13H10O2 (Mass of molecular ion: 198)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.2 27.0 3.1 28.0 1.1 29.0 1.9 37.0 1.1 38.0 3.1 39.0 10.8 50.0 8.3 51.0 26.6 52.0 1.8 55.0 1.2 57.5 1.2 62.0 1.9 63.0 6.4 64.0 3.9 65.0 6.0 66.0 1.3 70.5 1.0 74.0 2.9 75.0 2.7 76.0 5.1 77.0 27.3 78.0 2.2 89.0 1.3 91.0 1.2 92.0 1.9 94.0 3.8 98.0 1.0 98.5 1.2 105.0 1.4 115.0 12.5 116.0 1.6 139.0 3.2 140.0 1.2 141.0 33.4 142.0 8.1 143.0 1.1 152.0 1.2 153.0 1.7 168.0 2.6 169.0 34.0 170.0 7.5 180.0 3.1 181.0 15.6 182.0 2.3 197.0 32.6 198.0 100.0 199.0 15.3 200.0 1.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H10 O2 0.05 ml : 0.5 ml CDCl3 m-phenoxybenzaldehyde 
Assign. Shift(ppm)
A 9.913 B 7.571 C 7.459 D 7.448 E 7.346 F 7.257 G 7.142 J 7.022
Hz ppm Int.3961.94 9.914 1000 3031.62 7.586 166 3030.24 7.583 269 3029.17 7.580 209 3023.99 7.567 231 3022.77 7.564 369 3021.55 7.561 281 2989.20 7.480 274 2981.26 7.460 449 2978.82 7.454 319 2977.29 7.450 338 2976.53 7.448 383 2974.70 7.444 353 2973.63 7.441 322 2946.93 7.374 58 2944.49 7.368 327 2942.50 7.363 156 2939.61 7.356 84 2937.16 7.350 516 2936.10 7.347 522 2930.60 7.333 186 2928.62 7.328 465 2926.18 7.322 82 2906.04 7.272 215 2904.97 7.269 251 2903.44 7.265 224 2902.37 7.263 233 2897.95 7.252 184 2896.73 7.249 203 2895.36 7.245 196 2894.29 7.243 268 2862.40 7.163 115 2861.33 7.160 233 2860.26 7.157 166 2854.00 7.142 359 2847.60 7.126 89 2846.53 7.123 171 2845.46 7.120 117 2812.35 7.038 119 2810.97 7.034 494 2809.91 7.031 612 2807.77 7.026 206 2804.26 7.017 172 2803.34 7.015 296 2802.28 7.012 501 2801.21 7.010 499 2798.61 7.003 85
in CDCl3
liquid film
4880 A,200 M,liquid
