1H,1H,2H,2H-Perfluorohexan-1-ol (2043-47-2) MS
Product Name1H,1H,2H,2H-Perfluorohexan-1-ol
CAS2043-47-2
Molecular FormulaC6H5F9O
Molecular Weight264.09
InChIInChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
InChIKey JCMNMOBHVPONLD-UHFFFAOYSA-N
SmilesC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
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MassMS-IW-7443 3,3,4,4,5,5,6,6,6-nonafluoro-1-hexanol C6H5F9O (Mass of molecular ion: 264)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.9 28.0 3.4 29.0 16.4 30.0 2.9 31.0 100.0 32.0 2.7 33.0 1.1 43.0 2.4 44.0 1.8 45.0 3.1 47.0 1.5 49.0 9.2 51.0 5.5 57.0 1.6 64.0 2.7 65.0 14.8 67.0 1.7 69.0 22.8 75.0 4.9 77.0 8.0 93.0 1.6 95.0 38.4 96.0 1.4 100.0 3.9 113.0 2.3 119.0 5.3 127.0 4.7 131.0 4.8 145.0 3.7 157.0 1.3 169.0 1.0 175.0 2.2 195.0 6.8 196.0 9.8 214.0 2.7 215.0 1.3 227.0 1.3 244.0 9.4 263.0 3.7 265.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 F9 O 0.05 ml : 0.5 ml CDCl3 3,3,4,4,5,5,6,6,6-nonafluoro-1-hexanol 
Assign. Shift(ppm)
A 3.960 B 2.97 C 2.364
Hz ppm Int.1591.92 3.984 397 1585.69 3.968 964 1580.08 3.954 1000 1573.85 3.939 432 1191.65 2.982 324 1186.16 2.968 772 1180.79 2.955 314 973.14 2.435 113 971.68 2.432 197 970.09 2.428 125 966.80 2.420 224 965.33 2.416 378 963.75 2.412 229 960.33 2.403 125 958.86 2.400 196 957.28 2.396 130 952.76 2.384 353 946.29 2.368 665 939.94 2.352 342 935.42 2.341 143 933.84 2.337 222 932.25 2.333 141 928.96 2.325 242 927.37 2.321 407 925.90 2.317 244 922.49 2.309 135 920.90 2.305 222 919.56 2.301 130
liquid film
