3-Fluorotoluene(352-70-5) IR1
Product Name3-Fluorotoluene
CAS352-70-5
Molecular FormulaC7H7F
Molecular Weight110.13
InChIInChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey BTQZKHUEUDPRST-UHFFFAOYSA-N
SmilesC1(F)=CC=CC(C)=C1
-
MassMS-NW-3165 m-fluorotoluene C7H7F (Mass of molecular ion: 110)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
31.0 1.0 38.0 1.2 39.0 3.9 44.0 1.0 45.0 1.0 50.0 2.2 51.0 2.7 54.5 1.0 55.0 1.4 57.0 5.4 59.0 1.2 61.0 1.1 62.0 1.9 63.0 4.2 75.0 1.7 81.0 2.3 83.0 11.6 84.0 1.2 89.0 1.9 91.0 1.7 107.0 3.9 108.0 2.1 109.0 100.0 110.0 66.0 111.0 4.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H7 F 0.05 ml : 0.5 ml CDCl3 m-fluorotoluene 
Assign. Shift(ppm)
A 7.155 B 6.895 C 6.84 D 6.82 E 2.299
Hz ppm Int.2871.09 7.185 80 2863.16 7.165 163 2857.42 7.150 139 2856.69 7.148 152 2849.61 7.131 74 2849.00 7.129 81 2760.86 6.909 178 2760.13 6.907 200 2759.52 6.905 181 2753.30 6.890 152 2752.56 6.888 175 2751.71 6.886 159 2750.98 6.884 111 2739.38 6.855 63 2738.65 6.853 90 2737.92 6.851 103 2736.82 6.849 155 2736.08 6.847 189 2735.35 6.845 208 2734.50 6.843 227 2733.89 6.841 189 2731.81 6.836 54 2731.32 6.835 51 2730.83 6.834 45 2728.76 6.828 84 2726.93 6.824 224 2726.07 6.822 301 2725.46 6.820 322 2724.85 6.819 273 2718.14 6.802 69 2717.65 6.801 84 2717.16 6.799 85 2716.67 6.798 72 2715.58 6.795 52 2715.09 6.794 56 2714.60 6.793 55 2713.99 6.791 45 919.31 2.301 1000 918.70 2.299 986
in CDCl3
liquid film
4880 A,200 M,liquid
