1-Bromo-2,4,5-trifluorobenzene(327-52-6) MS
Product Name1-Bromo-2,4,5-trifluorobenzene
CAS327-52-6
Molecular FormulaC6H2BrF3
Molecular Weight210.98
InChIInChI=1S/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey DVTULTINXNWGJY-UHFFFAOYSA-N
SmilesC1(Br)=CC(F)=C(F)C=C1F
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MassMS-NW-8557 1-bromo-2,4,5-trifluorobenzene C6H2BrF3 (Mass of molecular ion: 210)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
31.0 13.1 36.0 1.1 37.0 4.5 49.0 1.3 50.0 2.7 55.0 1.5 56.0 4.7 57.0 2.5 60.0 1.2 61.0 10.5 62.0 9.4 68.0 5.0 74.0 2.3 75.0 5.9 79.0 3.8 80.0 10.4 81.0 79.1 82.0 4.3 86.0 2.7 87.0 2.4 92.0 3.3 93.0 1.4 99.0 5.5 105.0 3.8 106.0 3.7 111.0 3.2 112.0 5.8 130.0 6.9 131.0 76.8 132.0 5.0 210.0 100.0 211.0 6.9 212.0 97.9 213.0 6.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H2 Br F3 0.05 ml : 0.5 ml CDCl3 1-bromo-2,4,5-trifluorobenzene 
Assign. Shift(ppm)
A 7.377 B 7.017
Hz ppm Int.673.56 7.521 634 670.13 7.483 110 667.19 7.450 734 664.94 7.425 933 658.56 7.354 950 656.25 7.328 814 652.00 7.281 178 650.13 7.260 825 645.63 7.209 111 645.06 7.203 109 644.50 7.197 108 643.19 7.182 102 640.88 7.156 778 637.19 7.115 139 636.44 7.107 137 634.06 7.080 885 633.00 7.068 968 630.94 7.045 899 626.19 6.992 878 624.13 6.969 951 623.13 6.958 1000 616.25 6.881 791 610.63 6.819 68
in CDCl3
liquid film
