2,2,3,3,4,4-HEXAFLUORO-1,5-PENTANEDIOL(376-90-9) 1H NMR
Product Name2,2,3,3,4,4-HEXAFLUORO-1,5-PENTANEDIOL
CAS376-90-9
Molecular FormulaC5H6F6O2
Molecular Weight212.09
InChIInChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2
InChIKey IELVMUPSWDZWSD-UHFFFAOYSA-N
SmilesC(O)C(F)(F)C(F)(F)C(F)(F)CO
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MassMS-IW-9183 2,2,3,3,4,4-hexafluoro-1,5-pentanediol C5H6F6O2 (Mass of molecular ion: 212)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
29.0 7.7 31.0 100.0 32.0 1.7 33.0 3.3 49.0 1.8 51.0 4.4 61.0 6.7 62.0 2.5 64.0 2.5 69.0 2.6 75.0 1.1 77.0 2.5 80.0 1.1 81.0 1.0 95.0 3.0 100.0 1.8 111.0 2.4 113.0 1.0 123.0 1.2 132.0 2.3 142.0 13.3 143.0 1.0 155.0 1.1 162.0 7.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H6 F6 O2 0.040 g : 0.5 ml DMSO-d6 2,2,3,3,4,4-hexafluoro-1,5-pentanediol 
Assign. Shift(ppm)
A 5.92 B 3.907
Hz ppm Int.2377.32 5.949 28 2371.22 5.934 389 2364.75 5.918 1000 2358.15 5.901 380 1588.87 3.976 24 1588.13 3.974 26 1579.71 3.953 189 1578.00 3.949 181 1574.46 3.940 251 1564.58 3.915 460 1558.35 3.900 450 1552.25 3.885 192 1548.22 3.874 245 1544.43 3.865 167 1542.85 3.861 175 1536.13 3.844 28
in DMSO-d6
KBr disc
nujol mull
