alfa-Phenylcinnamicacid(3368-16-9) 1H NMR
Product Namealfa-Phenylcinnamicacid
CAS3368-16-9
Molecular FormulaC15H12O2
Molecular Weight224.25458
InChIInChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+
InChIKey BIDDLDNGQCUOJQ-SDNWHVSQSA-N
SmilesC(O)(=O)/C(/C1=CC=CC=C1)=C/C1=CC=CC=C1
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MassMS-IW-9342 alpha-phenylcinnamic acid C15H12O2 (Mass of molecular ion: 224)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.3 27.0 1.6 28.0 2.2 39.0 3.9 50.0 3.6 51.0 12.4 52.0 2.2 62.0 1.8 63.0 5.8 65.0 1.5 74.0 2.8 75.0 4.7 75.5 1.1 76.0 16.7 76.5 2.3 77.0 12.1 78.0 2.7 79.0 12.3 82.0 1.6 82.5 1.9 83.0 2.2 86.0 1.0 87.0 2.0 88.0 8.1 88.5 2.9 89.0 22.1 89.5 3.8 90.0 20.0 91.0 2.8 94.0 1.2 98.0 1.2 101.0 1.2 102.0 5.4 102.5 1.0 103.0 4.2 105.0 1.8 107.0 16.4 108.0 1.3 112.0 1.2 115.0 1.7 118.0 40.9 119.0 4.1 126.0 2.2 127.0 1.6 128.0 1.1 139.0 2.1 150.0 2.9 151.0 6.8 152.0 11.6 153.0 2.7 165.0 5.9 166.0 1.4 167.0 2.5 175.0 1.5 176.0 12.5 177.0 13.8 178.0 67.0 179.0 100.0 180.0 17.8 181.0 2.0 205.0 9.6 206.0 8.2 207.0 2.2 209.0 1.4 223.0 6.1 224.0 96.6 225.0 15.8 226.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H12 O2 0.032 g : 0.5 ml CDCl3 alpha-phenylcinnamic acid 
Assign. Shift(ppm)
A 7.956 B 7.38 to 7.36 C 7.24 D 7.22 E 7.157 F 7.065
Hz ppm Int.3179.95 7.957 753 2957.77 7.401 64 2955.94 7.397 59 2953.38 7.390 149 2951.91 7.387 142 2948.80 7.379 490 2947.52 7.376 390 2946.78 7.374 367 2945.87 7.372 353 2943.12 7.365 920 2941.47 7.361 1000 2938.91 7.354 218 2936.53 7.348 120 2932.13 7.337 39 2904.29 7.268 43 2900.26 7.258 131 2898.61 7.253 590 2895.68 7.246 392 2893.85 7.241 366 2892.20 7.237 272 2890.73 7.234 549 2888.90 7.229 433 2887.80 7.226 334 2884.87 7.219 368 2882.49 7.213 129 2879.19 7.205 191 2877.73 7.201 338 2876.26 7.197 189 2873.52 7.191 32 2867.84 7.176 403 2866.56 7.173 215 2861.98 7.162 305 2860.33 7.158 700 2855.02 7.144 123 2853.18 7.140 328 2851.90 7.136 209 2827.17 7.075 631 2821.68 7.061 151 2820.03 7.057 445 2818.38 7.053 319
in CDCl3
KBr disk
nujol mull
