2,6-Difluorophenol(28177-48-2) IR1
Product Name2,6-Difluorophenol
CAS28177-48-2
Molecular FormulaC6H4F2O
Molecular Weight130.09
InChIInChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey CKKOVFGIBXCEIJ-UHFFFAOYSA-N
SmilesC1(O)=C(F)C=CC=C1F
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MassMS-IW-1278 2,6-difluorophenol C6H4F2O (Mass of molecular ion: 130)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
31.0 3.7 37.0 1.2 38.0 1.1 41.0 1.6 50.0 2.0 51.0 3.9 53.0 1.5 55.0 2.7 56.0 3.5 57.0 5.0 61.0 1.7 62.0 1.6 63.0 13.4 64.0 1.0 65.0 4.1 68.0 1.0 75.0 4.4 80.0 1.1 81.0 15.8 82.0 61.7 83.0 4.4 99.0 1.2 101.0 8.1 110.0 29.5 111.0 2.0 129.0 2.6 130.0 100.0 131.0 6.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 F2 O 0.031 g : 0.5 ml CDCl3 2,6-difluorophenol 
Assign. Shift(ppm)
A 6.888 B 6.793 C 5.66
Hz ppm Int.2772.22 6.937 60 2770.26 6.932 68 2764.40 6.918 105 2763.06 6.914 365 2761.72 6.911 647 2760.38 6.907 317 2756.35 6.897 331 2754.27 6.892 810 2753.78 6.891 1000 2752.69 6.888 821 2747.31 6.875 808 2746.09 6.872 682 2745.61 6.871 619 2742.31 6.862 41 2740.60 6.858 33 2738.53 6.853 129 2735.35 6.845 80 2727.78 6.826 313 2721.80 6.811 616 2720.34 6.807 245 2718.38 6.802 187 2715.82 6.796 321 2713.99 6.791 432 2712.89 6.789 380 2710.94 6.784 154 2708.37 6.777 226 2706.67 6.773 197 2704.96 6.769 273 2699.10 6.754 140
in CDCl3
KBr disc
nujol mull
