Halothane(151-67-7) 1H NMR
Molecular FormulaC2HBrClF3
Molecular Weight197.38
InChIInChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
InChIKey BCQZXOMGPXTTIC-UHFFFAOYSA-N
SmilesC(F)(F)(F)C(Br)Cl
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MassMS-IW-6270 2-bromo-2-chloro-1,1,1-trifluoroethane C2HBrClF3 (Mass of molecular ion: 196)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 3.8 32.0 1.0 44.0 1.2 47.0 2.6 48.0 2.9 50.0 1.6 51.0 3.4 63.0 1.4 67.0 18.3 69.0 11.4 79.0 2.0 81.0 2.0 82.0 1.6 91.0 1.2 92.0 1.4 93.0 1.2 94.0 1.4 98.0 17.3 100.0 5.5 111.0 4.6 113.0 4.4 117.0 100.0 118.0 2.5 119.0 32.1 127.0 17.8 129.0 23.6 131.0 5.9 177.0 9.2 179.0 12.1 181.0 2.9 196.0 47.5 197.0 1.3 198.0 61.4 199.0 1.4 200.0 14.8
parameter in CDCl3
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1H NMR 300 MHz C2 H Br Cl F3 0.04 ml : 0.5 ml CDCl3 2-bromo-2-chloro-1,1,1-trifluoroethane 
Parameter ppm Hz
D(A) 5.809 J(A,F-19) 5.3
Hz ppm Int.1750.65 5.835 337 1745.35 5.818 1000 1740.05 5.800 1000 1734.75 5.782 337
in CDCl3
liquid film
4880 A,200 M,liquid
