PENTAFLUOROPHENOXYACETIC ACID(14892-14-9) IR1
Product NamePENTAFLUOROPHENOXYACETIC ACID
CAS14892-14-9
Molecular FormulaC8H3F5O3
Molecular Weight242.1
InChIInChI=1S/C8H3F5O3/c9-3-4(10)6(12)8(7(13)5(3)11)16-1-2(14)15/h1H2,(H,14,15)
InChIKey SMXPFEBIAASLOR-UHFFFAOYSA-N
SmilesC(O)(=O)COC1=C(F)C(F)=C(F)C(F)=C1F
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MassMS-NW-9523 (pentafluorophenoxy)acetic acid C8H3F5O3 (Mass of molecular ion: 242)
Source Temperature: 170 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 4.7 28.0 1.5 29.0 2.0 31.0 4.9 42.0 1.6 45.0 1.8 59.0 4.1 69.0 3.3 86.0 1.1 93.0 3.4 98.0 1.9 98.5 1.3 99.0 1.9 105.0 1.8 117.0 11.6 119.0 6.2 136.0 8.4 137.0 1.6 148.0 1.6 149.0 1.9 155.0 10.2 164.0 2.2 165.0 1.4 167.0 11.3 168.0 1.6 169.0 4.4 183.0 5.0 184.0 100.0 185.0 6.6 195.0 1.5 197.0 13.5 198.0 1.0 242.0 46.7 243.0 4.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H3 F5 O3 0.048 g : 0.5 ml CDCl3 (pentafluorophenoxy)acetic acid 
Assign. Shift(ppm)
A 9.43 B 4.845
Hz ppm Int.844.49 9.430 145 434.17 4.848 1000 431.95 4.824 69 430.41 4.806 36
KBr disc
nujol mull
4880 A,200 M,powder
