2,2,2-Trifluoroethanol(75-89-8) MS
Product Name2,2,2-Trifluoroethanol
CAS75-89-8
Molecular FormulaC2H3F3O
Molecular Weight100.04
InChIInChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKey RHQDFWAXVIIEBN-UHFFFAOYSA-N
SmilesC(O)C(F)(F)F
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MassMS-NW-4405 2,2,2-trifluoroethanol C2H3F3O (Mass of molecular ion: 100)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
29.0 13.8 30.0 1.8 31.0 100.0 32.0 2.1 33.0 16.2 49.0 3.1 50.0 2.4 51.0 9.5 61.0 11.7 69.0 5.1 79.0 1.2 81.0 2.5 83.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C2 H3 F3 O 0.04 ml : 0.5 ml CDCl3 2,2,2-trifluoroethanol 
Assign. Shift(ppm)
A 3.917 B 3.4 J(A,F-19)=8.4 HZ
Hz ppm Int.364.06 4.065 347 355.38 3.969 979 346.94 3.874 1000 338.25 3.777 403 328.13 3.664 62 327.75 3.660 60 327.38 3.656 61 307.38 3.433 525
in CDCl3
liquid film
4880 A,200 M,liquid
