4-Bromo-3-fluorotoluene(452-74-4)IR
Product Name4-Bromo-3-fluorotoluene
CAS452-74-4
Molecular FormulaC7H6BrF
Molecular Weight189.02
InChIInChI=1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey SLFNGVGRINFJLK-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(C)C=C1F
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MassMS-KW-0079 4-bromo-3-fluorotoluene C7H6BrF (Mass of molecular ion: 188)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 2.2 37.0 1.2 38.0 1.8 39.0 5.0 43.0 1.3 44.0 9.4 50.0 4.0 51.0 2.8 54.0 2.3 56.0 1.3 57.0 8.6 59.0 2.0 61.0 2.1 62.0 4.1 63.0 6.8 68.0 2.0 69.0 1.3 74.0 2.0 75.0 1.2 80.0 1.5 81.0 6.1 82.0 2.2 83.0 19.9 84.0 5.6 85.0 5.0 86.0 1.2 87.0 1.2 89.0 3.1 93.0 1.0 94.0 3.3 95.0 1.7 105.0 1.0 107.0 14.6 108.0 16.5 109.0 100.0 110.0 7.7 187.0 12.1 188.0 74.9 189.0 17.7 190.0 73.1 191.0 5.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Br F 0.05 ml : 0.5 ml CDCl3 4-bromo-3-fluorotoluene 
Assign. Shift(ppm)
A 7.356 B 6.890 C 6.796 D 2.281
Hz ppm Int.2947.75 7.376 171 2939.82 7.356 230 2932.37 7.338 178 2759.89 6.906 124 2759.28 6.905 129 2757.93 6.901 135 2750.24 6.882 119 2749.63 6.881 125 2748.29 6.877 135 2747.68 6.876 125 2721.44 6.810 142 2720.83 6.809 131 2720.09 6.807 124 2719.48 6.805 128 2713.26 6.790 130 2712.65 6.788 121 2712.04 6.787 115 2711.30 6.785 119 911.87 2.282 1000
in CDCl3
