1,4-Bis(trifluoromethyl)-benzene(433-19-2) IR1
Product Name1,4-Bis(trifluoromethyl)-benzene
CAS433-19-2
Molecular FormulaC8H4F6
Molecular Weight214.11
InChIInChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChIKey PDCBZHHORLHNCZ-UHFFFAOYSA-N
SmilesC1(C(F)(F)F)=CC=C(C(F)(F)F)C=C1
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MassMS-IW-2617 p-bis(trifluoromethyl)benzene C8H4F6 (Mass of molecular ion: 214)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
31.0 2.1 37.0 1.1 38.0 1.9 39.0 1.0 50.0 8.5 51.0 4.0 57.0 3.9 62.0 1.6 63.0 1.6 68.0 1.0 69.0 8.0 73.0 1.0 74.0 5.5 75.0 15.6 76.0 2.9 81.0 1.8 88.0 2.6 93.0 1.5 94.0 2.0 95.0 11.9 99.0 4.5 100.0 1.2 107.0 1.4 113.0 1.0 114.0 6.1 119.0 2.0 123.0 1.0 125.0 10.0 126.0 5.0 143.0 3.4 144.0 6.2 145.0 89.0 146.0 6.9 163.0 9.3 164.0 29.6 165.0 2.2 176.0 1.8 194.0 3.5 195.0 73.3 196.0 6.6 213.0 7.0 214.0 100.0 215.0 8.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H4 F6 0.05 ml : 0.5 ml CDCl3 p-bis(trifluoromethyl)benzene 
Assign. Shift(ppm)
A 7.741
Hz ppm Int.3093.63 7.741 1000 3084.59 7.719 25 3083.25 7.715 28 3080.81 7.709 22
in CDCl3
liquid film
