1,1,1-TRIFLUORO-2-PROPANOL(374-01-6) MS
Product Name1,1,1-TRIFLUORO-2-PROPANOL
CAS374-01-6
Molecular FormulaC3H5F3O
Molecular Weight114.07
InChIInChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
InChIKey GILIYJDBJZWGBG-UHFFFAOYSA-N
SmilesC(F)(F)(F)C(O)C
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MassMS-IW-8328 1,1,1-trifluoro-2-propanol C3H5F3O (Mass of molecular ion: 114)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.1 15.0 4.0 19.0 12.1 26.0 1.5 27.0 18.5 28.0 2.2 29.0 14.2 31.0 4.6 33.0 1.2 42.0 2.9 43.0 20.9 44.0 1.8 45.0 100.0 46.0 4.6 47.0 18.6 49.0 7.7 50.0 1.8 51.0 21.8 59.0 1.3 63.0 2.1 65.0 1.7 67.0 4.7 69.0 13.4 75.0 4.8 77.0 3.9 79.0 24.1 80.0 1.1 95.0 7.5 96.0 1.2 99.0 24.9 113.0 1.0 223.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C3 H5 F3 O 0.05 ml : 0.5 ml CDCl3 1,1,1-trifluoro-2-propanol 
Assign. Shift(ppm)
A 4.093 B 3.40 C 1.355
Hz ppm Int.1652.47 4.135 59 1645.87 4.119 157 1639.40 4.103 240 1633.06 4.087 246 1626.59 4.071 164 1620.00 4.054 62 1362.43 3.410 360 1356.32 3.394 338 545.29 1.365 1000 544.43 1.363 931 541.87 1.356 96 538.57 1.348 964 537.84 1.346 938
in CDCl3
