3,5-Bis(trifluoromethyl)bromobenzene(328-70-1) IR1
Product Name3,5-Bis(trifluoromethyl)bromobenzene
CAS328-70-1
Molecular FormulaC8H3BrF6
Molecular Weight293
InChIInChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKey CSVCVIHEBDJTCJ-UHFFFAOYSA-N
SmilesC1(Br)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
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MassMS-IW-8120 1-bromo-3,5-bis(trifluoromethyl)benzene C8H3BrF6 (Mass of molecular ion: 292)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.2 50.0 2.9 57.0 1.0 62.0 1.1 69.0 6.3 73.0 1.3 74.0 6.7 75.0 10.7 87.0 1.1 93.0 2.3 94.0 2.9 99.0 3.5 113.0 1.7 123.0 2.3 124.0 1.0 125.0 6.3 143.0 12.7 144.0 16.6 145.0 1.7 162.0 4.2 163.0 22.9 164.0 1.9 193.0 5.7 194.0 9.6 195.0 1.4 212.0 2.2 213.0 78.4 214.0 7.6 223.0 5.9 225.0 5.9 242.0 5.3 244.0 5.1 273.0 22.6 274.0 2.3 275.0 22.2 276.0 2.0 291.0 1.2 292.0 100.0 293.0 9.9 294.0 97.2 295.0 8.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H3 Br F6 0.05 ml : 0.5 ml CDCl3 1-bromo-3,5-bis(trifluoromethyl)benzene 
Assign. Shift(ppm)
A 7.962 B 7.827
Hz ppm Int.3182.13 7.963 1000 3181.64 7.962 999 3128.78 7.829 415 3128.05 7.827 462 3127.44 7.826 432
in CDCl3
liquid film
