Flurbiprofen(5104-49-4) IR2
Product NameFlurbiprofen
CAS5104-49-4
Molecular FormulaC15H13FO2
Molecular Weight244.26
InChIInChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
InChIKey SYTBZMRGLBWNTM-UHFFFAOYSA-N
SmilesFC1C=C(C(C)C(=O)O)C=CC=1C1C=CC=CC=1
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MassMS-IW-9294 (+-)-2-(2-fluoro-4-biphenylyl)propionic acid C15H13FO2 (Mass of molecular ion: 244)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 3.5 27.0 1.3 28.0 1.6 39.0 1.5 43.0 1.1 50.0 1.1 51.0 4.3 63.0 2.1 73.0 1.1 74.0 1.3 75.0 2.5 76.0 2.6 77.0 6.2 81.0 1.0 85.0 4.5 86.0 2.1 88.0 2.1 89.0 1.6 92.0 1.1 92.5 1.1 96.0 1.0 97.0 1.2 98.0 3.6 98.5 1.4 99.0 2.8 99.5 2.0 101.0 1.5 103.0 1.3 113.0 1.3 115.0 1.0 120.0 1.1 121.0 1.5 133.0 2.5 146.0 1.4 150.0 1.2 151.0 3.0 152.0 4.9 153.0 2.9 157.0 1.5 159.0 1.3 165.0 1.9 169.0 1.8 170.0 7.2 171.0 3.6 172.0 2.8 176.0 3.0 177.0 4.5 178.0 14.3 179.0 11.9 180.0 2.2 181.0 1.1 183.0 13.3 184.0 11.0 185.0 4.7 194.0 1.4 195.0 1.3 196.0 8.6 197.0 8.4 198.0 22.3 199.0 100.0 200.0 16.2 201.0 1.6 226.0 12.8 227.0 2.2 244.0 50.4 245.0 8.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H13 F O2 0.041 g : 0.5 ml CDCl3 (+-)-2-(2-fluoro-4-biphenylyl)propionic acid 
Assign. Shift(ppm)
A 7.522 B 7.42 C 7.39 D 7.35 E 7.17 G 7.15 J 3.773 K 1.545
Hz ppm Int.3011.62 7.536 167 3010.16 7.532 320 3008.69 7.529 235 3006.68 7.524 82 3003.20 7.515 363 3001.92 7.512 390 2998.44 7.503 46 2975.36 7.445 182 2974.44 7.443 267 2972.61 7.439 100 2967.11 7.425 536 2965.65 7.421 242 2961.80 7.411 235 2961.07 7.410 195 2959.60 7.406 320 2957.41 7.401 72 2956.31 7.398 64 2953.56 7.391 409 2945.68 7.371 325 2944.95 7.369 290 2943.49 7.366 135 2939.82 7.356 102 2937.44 7.351 250 2935.06 7.345 63 2931.58 7.336 65 2930.11 7.332 90 2928.83 7.329 47 2868.75 7.179 192 2866.92 7.174 264 2862.89 7.164 209 2861.06 7.159 349 2851.35 7.135 222 2849.52 7.131 176 1518.63 3.800 65 1511.49 3.783 205 1504.35 3.765 211 1497.20 3.747 71 621.12 1.555 1000 613.97 1.537 985
in CDCl3
KBr disc
nujol mull
