3-(Trifluoromethoxy)phenol(827-99-6) MS
Product Name3-(Trifluoromethoxy)phenol
CAS827-99-6
Molecular FormulaC7H5F3O2
Molecular Weight178.11
InChIInChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
InChIKey UWLJERQTLRORJN-UHFFFAOYSA-N
SmilesC1(O)=CC=CC(OC(F)(F)F)=C1
-
MassMS-IW-9047 m-(trifluoromethoxy)phenol C7H5F3O2 (Mass of molecular ion: 178)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.3 29.0 1.0 31.0 1.0 37.0 1.0 38.0 2.4 39.0 4.5 41.0 1.2 50.0 1.8 51.0 2.5 52.0 2.8 53.0 9.6 55.0 1.4 56.0 1.0 57.0 1.1 62.0 1.2 63.0 3.1 64.0 4.5 65.0 3.1 69.0 13.8 80.0 1.2 81.0 20.9 82.0 1.3 83.0 2.4 84.0 2.4 92.0 2.4 93.0 7.5 102.0 1.2 109.0 7.2 111.0 1.0 112.0 3.6 178.0 100.0 179.0 7.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H5 F3 O2 0.05 ml : 0.5 ml CDCl3 m-(trifluoromethoxy)phenol 
Assign. Shift(ppm)
A 7.215 B 6.806 C 6.757 D 6.727 E 6.00
Hz ppm Int.2892.21 7.237 368 2884.03 7.217 743 2875.85 7.196 439 2726.32 6.822 190 2725.34 6.820 271 2724.24 6.817 300 2723.14 6.814 278 2722.17 6.812 191 2718.02 6.802 176 2717.04 6.799 251 2715.94 6.796 279 2714.97 6.794 258 2713.87 6.791 173 2706.30 6.772 308 2705.44 6.770 296 2703.86 6.766 389 2703.00 6.764 335 2698.12 6.752 242 2697.27 6.750 249 2695.68 6.746 392 2694.95 6.744 341 2689.58 6.730 390 2688.48 6.728 450 2687.62 6.725 428 2399.54 6.005 1000
in CDCl3
liquid film
