Product Name1,3-Bis(trifluoromethyl)-benzene
CAS402-31-3
Molecular FormulaC8H4F6
Molecular Weight214.11
InChIInChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
InChIKey SJBBXFLOLUTGCW-UHFFFAOYSA-N
SmilesC1(C(F)(F)F)=CC=CC(C(F)(F)F)=C1
Mass
MS-NW-6458 alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene C8H4F6 (Mass of molecular ion: 214)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 1.5 31.0 3.3 37.0 1.4 38.0 2.1 39.0 1.7 50.0 7.7 51.0 3.4 57.0 3.2 62.0 1.5 63.0 1.4 69.0 7.8 74.0 4.7 75.0 12.7 76.0 2.6 81.0 1.6 88.0 2.3 93.0 1.2 94.0 1.4 95.0 9.3 99.0 4.0 100.0 1.0 107.0 1.3 114.0 6.0 119.0 1.8 125.0 8.6 126.0 3.7 143.0 3.0 144.0 5.3 145.0 66.4 146.0 5.3 163.0 6.7 164.0 30.7 165.0 2.6 194.0 2.9 195.0 67.9 196.0 6.3 213.0 9.7 214.0 100.0 215.0 9.2
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H4 F6 | 0.05 ml : 0.5 ml CDCl3 |
alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene |
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Assign. Shift(ppm) |
Hz ppm Int.
3153.56 7.891 796 3152.95 7.890 791 3128.54 7.829 856 3128.05 7.827 837 3120.61 7.809 1000 3057.98 7.652 374 3057.25 7.650 362 3050.42 7.633 506 3049.80 7.632 564 3042.24 7.613 260 3041.63 7.611 250
in CDCl3
liquid film
4880 A,200 M,liquid
1,3-Bis(trifluoromethyl)-benzene(402-31-3) MS Atlas of Related Products
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