2-PHENOXYBENZOIC ACID(2243-42-7) Raman
Product Name2-PHENOXYBENZOIC ACID
CAS2243-42-7
Molecular FormulaC13H10O3
Molecular Weight214.22
InChIInChI=1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey PKRSYEPBQPFNRB-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC=C1OC1=CC=CC=C1
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MassMS-IW-8131 o-phenoxybenzoic acid C13H10O3 (Mass of molecular ion: 214)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.0 39.0 2.6 50.0 1.6 51.0 6.1 63.0 1.4 64.0 1.1 65.0 4.5 77.0 6.1 92.0 3.1 93.0 6.7 94.0 4.9 115.0 2.5 120.0 7.1 121.0 100.0 122.0 7.9 139.0 2.5 141.0 2.7 168.0 2.6 169.0 2.0 197.0 5.7 214.0 48.6 215.0 7.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H10 O3 0.038 g : 0.5 ml CDCl3 o-phenoxybenzoic acid 
Assign. Shift(ppm)
A 11. B 8.133 C 7.470 D 7.382 E 7.19 F 7.064 G 6.885
Hz ppm Int.3255.60 8.147 416 3253.95 8.143 438 3247.73 8.127 450 3246.08 8.123 448 2994.77 7.494 279 2992.94 7.489 286 2987.45 7.476 354 2986.53 7.473 380 2985.80 7.472 373 2984.70 7.469 365 2979.20 7.455 379 2977.37 7.450 367 2961.25 7.410 88 2959.05 7.405 494 2958.32 7.403 264 2956.86 7.399 225 2955.21 7.395 62 2954.11 7.392 127 2952.46 7.388 292 2951.54 7.386 815 2950.63 7.384 745 2948.25 7.378 151 2944.95 7.369 297 2943.85 7.367 325 2942.94 7.364 760 2940.55 7.358 118 2881.76 7.211 476 2881.21 7.210 527 2880.84 7.209 509 2877.91 7.202 58 2874.43 7.193 654 2873.88 7.191 1000 2872.97 7.189 702 2869.85 7.181 58 2867.47 7.175 200 2866.56 7.173 527 2865.46 7.170 441 2829.56 7.081 149 2829.01 7.079 165 2827.72 7.076 795 2826.63 7.073 991 2825.89 7.071 562 2824.43 7.068 277 2820.95 7.059 280 2820.03 7.057 464 2818.93 7.054 836 2818.02 7.052 742 2815.27 7.045 98 2756.29 6.897 490 2755.37 6.895 513 2747.86 6.876 465 2746.95 6.874 472
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
