3-Bromo-4-fluorobenzotrifluoride(68322-84-9) 13C NMR
Product Name3-Bromo-4-fluorobenzotrifluoride
CAS68322-84-9
Molecular FormulaC7H3BrF4
Molecular Weight243
InChIInChI=1S/C7H3BrF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChIKey RZJOIMPUMMQKFR-UHFFFAOYSA-N
SmilesC1(F)=CC=C(C(F)(F)F)C=C1Br
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MassMS-IW-2173 2-bromo-1-fluoro-4-(trifluoromethyl)benzene C7H3BrF4 (Mass of molecular ion: 242)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
31.0 3.9 37.0 2.3 38.0 1.4 44.0 1.0 49.0 1.3 50.0 6.9 51.0 1.9 56.0 2.2 57.0 2.3 61.0 3.1 62.0 5.8 63.0 6.9 68.0 6.5 69.0 8.8 72.0 1.4 73.0 2.8 74.0 8.0 75.0 9.7 79.0 1.1 81.0 1.6 81.5 2.3 87.0 1.0 92.0 3.4 93.0 9.8 94.0 15.0 95.0 1.3 99.0 2.5 111.0 4.2 111.5 3.3 112.0 7.5 112.5 3.1 113.0 14.8 117.0 1.7 121.0 1.0 122.0 1.1 123.0 1.5 125.0 2.6 143.0 16.9 144.0 15.2 145.0 1.6 161.0 1.3 162.0 5.6 163.0 61.6 164.0 4.8 173.0 1.5 175.0 1.4 192.0 17.3 193.0 1.2 194.0 16.6 195.0 1.1 223.0 31.1 224.0 2.9 225.0 30.1 226.0 2.6 241.0 3.5 242.0 100.0 243.0 10.8 244.0 97.3 245.0 7.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H3 Br F4 0.05 ml : 0.5 ml CDCl3 2-bromo-1-fluoro-4-(trifluoromethyl)benzene 
Assign. Shift(ppm)
A 7.829 B 7.563 C 7.210
Hz ppm Int.3133.54 7.841 612 3131.59 7.836 662 3127.32 7.826 649 3125.37 7.821 676 3125.00 7.820 669 3030.27 7.583 310 3029.66 7.581 318 3028.81 7.579 257 3027.95 7.577 334 3027.34 7.575 337 3025.88 7.572 364 3025.27 7.570 357 3024.54 7.568 285 3023.56 7.566 359 3022.83 7.564 374 3021.61 7.561 414 3021.12 7.560 406 3020.26 7.558 325 3019.41 7.556 400 3018.68 7.554 402 3017.21 7.550 415 3016.72 7.549 408 3015.01 7.545 391 3014.40 7.543 381 2890.14 7.232 544 2889.40 7.230 570 2881.47 7.210 1000 2873.54 7.191 500 2872.80 7.189 527
in CDCl3
liquid film
