3,5-Bis(trifluoromethyl)benzoyl chloride (785-56-8) IR1
Product Name3,5-Bis(trifluoromethyl)benzoyl chloride
CAS785-56-8
Molecular FormulaC9H3ClF6O
Molecular Weight276.56
InChIInChI=1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H
InChIKey WAKMMQSMEDJRRI-UHFFFAOYSA-N
SmilesC(Cl)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
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MassMS-NW-9960 3,5-bis(trifluoromethyl)benzoyl chloride C9H3ClF6O (Mass of molecular ion: 276)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
50.0 1.6 69.0 3.3 74.0 3.3 75.0 6.0 93.0 1.2 94.0 1.5 97.0 1.6 99.0 1.9 111.0 2.4 113.0 1.0 123.0 1.1 125.0 2.7 143.0 7.0 144.0 6.7 162.0 1.8 163.0 12.0 193.0 2.1 194.0 5.0 213.0 54.0 214.0 4.8 229.0 1.3 241.0 100.0 242.0 9.8 257.0 9.6 258.0 1.4 259.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H3 Cl F6 O 0.05 ml : 0.5 ml CDCl3 3,5-bis(trifluoromethyl)benzoyl chloride 
Assign. Shift(ppm)
A 8.586 B 8.219
Hz ppm Int.3432.86 8.590 833 3432.25 8.589 983 3431.76 8.587 1000 3431.15 8.586 999 3430.66 8.585 972 3285.52 8.221 452 3284.79 8.220 498 3284.18 8.218 437
in CDCl3
liquid film
