4-Bromo-2-fluoroanisole (2357-52-0) IR1
Product Name4-Bromo-2-fluoroanisole
CAS2357-52-0
Molecular FormulaC7H6BrFO
Molecular Weight205.02
InChIInChI=1S/C7H6BrFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey DWNXGZBXFDNKOR-UHFFFAOYSA-N
SmilesC1(OC)=CC=C(Br)C=C1F
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MassMS-IW-9266 4-bromo-2-fluoroanisole C7H6BrFO (Mass of molecular ion: 204)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 28.0 2.8 31.0 4.7 37.0 2.1 38.0 2.8 49.0 1.2 50.0 6.8 51.0 2.7 53.0 1.0 56.0 4.6 57.0 4.9 61.0 4.2 62.0 4.0 63.0 8.2 68.0 4.4 69.0 1.1 73.0 1.2 74.0 5.0 75.0 4.3 77.0 1.5 80.0 2.0 81.0 13.6 82.0 14.1 92.0 1.7 93.0 3.6 94.0 12.7 95.0 5.2 96.0 2.6 97.0 1.7 110.0 4.1 111.0 2.8 113.0 2.5 135.0 1.7 137.0 1.6 161.0 33.5 162.0 2.1 163.0 32.6 164.0 1.8 173.0 2.3 175.0 2.4 189.0 64.5 190.0 4.8 191.0 63.2 192.0 4.3 204.0 100.0 205.0 8.1 206.0 98.0 207.0 7.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Br F O 0.05 ml : 0.5 ml CDCl3 4-bromo-2-fluoroanisole 
Assign. Shift(ppm)
A 7.19 B 7.157 C 6.801 D 3.834
Hz ppm Int.2881.35 7.210 177 2879.03 7.204 213 2870.73 7.184 122 2868.65 7.178 223 2866.70 7.174 168 2865.23 7.170 137 2864.26 7.167 74 2862.92 7.164 94 2858.15 7.152 148 2856.57 7.148 147 2855.83 7.146 119 2854.13 7.142 110 2726.32 6.822 154 2717.53 6.800 241 2708.86 6.779 123 1532.35 3.835 1000
in CDCl3
liquid film
