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HEXAFLUORO-2-METHYLISOPROPANOL(1515-14-6) MS
Product NameHEXAFLUORO-2-METHYLISOPROPANOL
CAS1515-14-6
Molecular FormulaC4H4F6O
Molecular Weight182.06
InChIInChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3
InChIKey FQDXJYBXPOMIBX-UHFFFAOYSA-N
SmilesC(F)(F)(F)C(C)(O)C(F)(F)F
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MassMS-IW-8327 1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol C4H4F6O (Mass of molecular ion: 182)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.6 27.0 2.6 28.0 1.5 29.0 2.1 31.0 4.0 33.0 1.0 42.0 3.0 43.0 100.0 44.0 3.4 45.0 1.9 49.0 1.3 50.0 1.6 51.0 10.6 57.0 1.3 63.0 39.1 64.0 2.0 65.0 9.6 67.0 11.7 69.0 33.0 75.0 2.8 77.0 9.0 78.0 1.8 91.0 1.1 93.0 8.3 95.0 6.0 97.0 8.8 99.0 1.1 111.0 1.0 113.0 67.7 114.0 2.4 115.0 15.4 119.0 1.7 143.0 2.3 145.0 1.0 147.0 15.1 167.0 4.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H4 F6 O 0.05 ml : 0.5 ml CDCl3 1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol 
Assign. Shift(ppm)
A 3.14 B 1.591
Hz ppm Int.1254.27 3.139 400 637.94 1.597 562 636.84 1.594 884 635.74 1.591 1000 634.64 1.588 842 633.54 1.586 508
in CDCl3
