4-PHENOXYBENZOIC ACID(2215-77-2) IR1
Product Name4-PHENOXYBENZOIC ACID
CAS2215-77-2
Molecular FormulaC13H10O3
Molecular Weight214.22
InChIInChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
InChIKey RYAQFHLUEMJOMF-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
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MassMS-IW-1325 p-phenoxybenzoic acid C13H10O3 (Mass of molecular ion: 214)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
39.0 1.1 50.0 1.1 51.0 3.3 65.0 1.6 77.0 6.1 115.0 2.9 139.0 1.3 140.0 1.0 141.0 9.4 142.0 2.5 168.0 3.9 169.0 9.9 170.0 1.4 186.0 4.5 197.0 28.7 198.0 4.2 213.0 1.4 214.0 100.0 215.0 14.5 216.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H10 O3 0.034 g : 0.5 ml CDCl3 p-phenoxybenzoic acid 
Assign. Shift(ppm)
A 8.08 B 7.405 C 7.212 D 7.088 E 7.030
Hz ppm Int.3229.25 8.081 414 2968.02 7.427 462 2960.21 7.408 1000 2952.39 7.388 659 2889.16 7.230 349 2881.84 7.211 561 2874.51 7.193 266 2836.79 7.099 928 2828.98 7.079 872 2821.53 7.061 197 2813.60 7.041 656 2805.79 7.021 635 2790.77 6.984 62 2790.41 6.983 59
in CDCl3
KBr disc
nujol mull
