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2,2,2-TRIFLUOROETHYL METHANESULFONATE(25236-64-0) MS
Product Name2,2,2-TRIFLUOROETHYL METHANESULFONATE
CAS25236-64-0
Molecular FormulaC3H5F3O3S
Molecular Weight178.13
InChIInChI=1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3
InChIKey ICECLJDLAVVEOW-UHFFFAOYSA-N
SmilesC(OS(C)(=O)=O)C(F)(F)F
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MassMS-IW-8106 2,2,2-trifluoroethyl methanesulfonate C3H5F3O3S (Mass of molecular ion: 178)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 28.3 29.0 5.5 31.0 2.8 33.0 3.8 45.0 3.3 48.0 2.1 51.0 3.2 63.0 5.6 64.0 2.2 65.0 3.5 69.0 4.1 78.0 1.1 79.0 100.0 80.0 3.8 81.0 6.2 83.0 10.7 109.0 94.1 110.0 2.9 111.0 5.3 159.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C3 H5 F3 O3 S 0.05 ml : 0.5 ml CDCl3 2,2,2-trifluoroethyl methanesulfonate 
Assign. Shift(ppm)
A 4.542 B 3.142
Hz ppm Int.1827.39 4.573 130 1819.34 4.553 364 1811.40 4.533 370 1803.34 4.513 142 1255.98 3.143 1000
in CDCl3
