3-FLUOROBENZAL BROMIDE(455-34-5) MS
Product Name3-FLUOROBENZAL BROMIDE
CAS455-34-5
Molecular FormulaC7H5Br2F
Molecular Weight267.92
InChIInChI=1S/C7H5Br2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H
InChIKey ZIAHZFPHXNQNQN-UHFFFAOYSA-N
SmilesC1(C(Br)Br)=CC=CC(F)=C1
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MassMS2015-05139CW m-(dibromomethyl)fluorobenzene C7H5Br2F (Mass of molecular ion: 266)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
39.0 1.0 44.0 1.4 50.0 1.7 51.0 1.0 54.0 2.1 57.0 4.4 61.0 1.2 62.0 2.7 63.0 2.5 75.0 1.1 81.0 4.1 82.0 1.5 83.0 1.3 93.5 2.6 94.5 2.6 95.0 1.8 107.0 20.0 108.0 30.5 109.0 3.0 123.0 2.5 124.0 1.8 187.0 100.0 188.0 7.8 189.0 98.0 190.0 7.2 265.0 1.2 266.0 1.1 267.0 2.4 268.0 2.1 269.0 1.3 270.0 1.0
400 MHz in CDCl3
in DMSO-d6
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1H NMR 399.65 MHz C7 H5 Br2 F 0.05 ml : 0.5 ml CDCl3 m-(dibromomethyl)fluorobenzene 
Assign. Shift(ppm)
A 7.32 B 7.30 to 7.29 C 7.001 D 6.590
Hz ppm Int.2931.88 7.337 206 2929.69 7.331 336 2928.22 7.327 196 2927.86 7.327 199 2924.68 7.319 93 2923.95 7.317 84 2921.88 7.312 480 2920.65 7.309 325 2919.31 7.305 284 2918.09 7.302 237 2916.87 7.299 366 2916.26 7.298 297 2914.55 7.293 635 2912.96 7.289 577 2910.89 7.284 700 2909.79 7.281 510 2907.23 7.275 111 2905.27 7.270 125 2903.69 7.266 54 2807.01 7.024 164 2805.05 7.019 191 2804.57 7.018 186 2802.73 7.013 162 2801.03 7.009 45 2799.80 7.006 157 2798.71 7.003 197 2797.73 7.001 183 2797.00 6.999 186 2796.26 6.997 180 2795.29 6.995 267 2793.21 6.990 164 2789.55 6.980 194 2786.87 6.974 138 2634.16 6.592 1000 2633.67 6.590 996
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in CDCl3
in DMSO-d6
Liquid film
