Product Name2,6-Difluorophenylacetic acid
CAS85068-28-6
Molecular FormulaC8H6F2O2
Molecular Weight172.13
InChI
InChIKey
Smiles
Mass
MS-IW-0015 2,6-difluorophenylacetic acid C8H6F2O2 (Mass of molecular ion: 172)
Source Temperature: 130 °C Sample Temperature: 70 °C Direct, 75 eV
18.0 1.1 45.0 1.4 50.0 1.1 51.0 2.0 57.0 3.2 63.0 1.5 63.5 3.1 75.0 2.7 77.0 3.4 81.0 1.9 101.0 6.5 107.0 5.7 108.0 15.9 109.0 4.5 124.0 1.4 125.0 3.0 126.0 1.8 127.0 100.0 128.0 11.6 152.0 1.8 154.0 1.3 172.0 43.1 173.0 4.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H6 F2 O2 | 0.034 g : 0.5 ml CDCl3 |
2,6-difluorophenylacetic acid |
Assign. Shift(ppm) |
Hz ppm Int.
2911.61 7.286 68 2905.20 7.270 138 2903.37 7.265 133 2898.24 7.252 186 2896.78 7.249 264 2894.95 7.244 105 2890.18 7.232 134 2888.35 7.228 157 2881.76 7.211 77 2770.76 6.933 55 2769.11 6.929 75 2765.08 6.919 379 2762.33 6.912 98 2760.87 6.909 104 2757.75 6.901 446 2756.84 6.899 404 2753.73 6.891 107 2751.89 6.886 94 2749.33 6.880 326 2745.12 6.869 65 2743.83 6.866 50 1501.78 3.758 1000
in CDCl3
KBr disc
nujol mull
2,6-Difluorophenylacetic acid(85068-28-6) MS Atlas of Related Products
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