Phenyl salicylate(118-55-8) IR3
Product NamePhenyl salicylate
CAS118-55-8
Molecular FormulaC13H10O3
Molecular Weight214.22
InChIInChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
InChIKey ZQBAKBUEJOMQEX-UHFFFAOYSA-N
SmilesC(OC1=CC=CC=C1)(=O)C1=CC=CC=C1O
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MassMS-NW-0679 phenyl salicylate C13H10O3 (Mass of molecular ion: 214)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
38.0 1.3 39.0 8.2 51.0 1.6 53.0 1.3 63.0 2.6 64.0 2.3 65.0 12.9 66.0 1.3 92.0 2.9 93.0 9.4 94.0 2.8 120.0 2.4 121.0 100.0 122.0 7.8 214.0 13.0 215.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H10 O3 0.050 g : 0.5 ml CDCl3 phenyl salicylate 
Assign. Shift(ppm)
A 10.50 B 8.067 C 7.49 D 7.43 E 7.27 F 7.20 G 7.03 J 6.96
Hz ppm Int.940.28 10.499 1000 939.86 10.495 884 727.43 8.123 176 726.92 8.117 166 725.63 8.103 215 725.21 8.098 185 719.65 8.036 200 719.06 8.029 194 717.69 8.014 246 717.26 8.009 208 682.48 7.621 76 682.06 7.616 67 680.69 7.601 81 680.26 7.596 73 676.33 7.552 70 675.48 7.543 111 675.05 7.538 111 673.94 7.526 234 673.51 7.521 206 672.23 7.506 161 670.69 7.489 65 670.09 7.483 54 668.81 7.468 113 668.04 7.460 311 667.36 7.452 243 666.93 7.447 219 666.50 7.442 203 666.08 7.438 171 665.14 7.427 224 664.71 7.422 264 662.06 7.393 211 660.35 7.374 522 659.67 7.366 392 658.39 7.352 243 657.79 7.345 254 656.25 7.328 294 654.71 7.311 70 652.23 7.283 218 651.38 7.274 167 649.16 7.249 472 647.88 7.235 256 647.02 7.225 450 646.51 7.219 340 644.54 7.197 120 642.66 7.176 163 640.70 7.154 244 638.99 7.135 222 634.29 7.083 160 633.69 7.076 246 633.01 7.069 347 632.50 7.063 264 630.19 7.037 272 628.91 7.023 136 625.74 6.987 162 625.23 6.982 186 624.46 6.973 216 624.04 6.968 189 623.18 6.959 222 622.33 6.949 250 621.04 6.935 170 615.15 6.869 143 613.95 6.856 128
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
