4-Fluorophenoxyacetic acid(405-79-8) IR1
Product Name4-Fluorophenoxyacetic acid
CAS405-79-8
Molecular FormulaC8H7FO3
Molecular Weight170.14
InChIInChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey ZBIULCVFFJJYTN-UHFFFAOYSA-N
SmilesC(O)(=O)COC1=CC=C(F)C=C1
-
MassMS-NW-5473 (p-fluorophenoxy)acetic acid C8H7FO3 (Mass of molecular ion: 170)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.4 18.0 4.3 27.0 1.0 28.0 6.5 29.0 3.3 31.0 6.1 32.0 1.5 37.0 1.5 38.0 2.3 39.0 3.9 42.0 2.5 44.0 1.9 45.0 3.2 50.0 6.4 51.0 4.8 53.0 1.2 56.0 3.1 57.0 16.0 58.0 1.3 61.0 1.8 62.0 2.6 62.5 1.8 63.0 5.6 64.0 3.8 65.0 1.0 68.0 2.3 69.0 4.8 70.0 1.9 73.0 1.4 74.0 3.5 75.0 21.1 76.0 2.2 77.0 3.9 81.0 3.6 82.0 3.0 83.0 37.9 84.0 8.4 94.0 2.9 95.0 82.3 96.0 10.5 97.0 24.9 98.0 1.9 105.0 1.7 107.0 1.0 110.0 1.2 111.0 20.4 112.0 55.8 113.0 4.2 123.0 1.3 124.0 1.1 125.0 87.4 126.0 7.0 152.0 1.5 170.0 100.0 171.0 9.2 172.0 1.1
90 MHz in DMSO-d6
-
1H NMR 89.56 MHz C8 H7 F O3 0.043 g : 0.5 ml DMSO-d6 (p-fluorophenoxy)acetic acid 
Assign. Shift(ppm)
A 13. B 7.09 C 6.96 D 4.656 J(B,C)=8HZ J(B,F-19)=8HZ J(C,F-19)=5HZ
Hz ppm Int.647.02 7.225 86 644.20 7.193 38 640.27 7.150 57 637.62 7.120 279 636.08 7.103 60 634.46 7.085 48 632.24 7.060 50 629.33 7.027 290 627.11 7.003 303 625.15 6.981 82 624.29 6.971 78 622.58 6.952 294 620.45 6.928 68 619.51 6.918 66 617.63 6.897 94 616.00 6.879 47 613.35 6.849 61 612.93 6.844 64 417.08 4.657 1000
KBr disc
nujol mull
4880 A,200 M,powder
