3,3,4,4,5,5,6,6-OCTAFLUOROOCTAN-1,8-DIOL(83192-87-4) IR1
Product Name3,3,4,4,5,5,6,6-OCTAFLUOROOCTAN-1,8-DIOL
CAS83192-87-4
Molecular FormulaC8H10F8O2
Molecular Weight290.15
InChIInChI=1S/C8H10F8O2/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h17-18H,1-4H2
InChIKey KZGBZVBYSNUWHN-UHFFFAOYSA-N
SmilesC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO
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MassMS-IW-7446 3,3,4,4,5,5,6,6-octafluoro-1,8-octanediol C8H10F8O2 (Mass of molecular ion: 290)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.8 19.0 6.8 20.0 4.1 27.0 5.3 28.0 5.9 29.0 17.6 30.0 5.2 31.0 100.0 32.0 2.5 33.0 1.3 39.0 1.3 42.0 5.5 43.0 5.5 44.0 5.6 45.0 8.3 46.0 1.2 47.0 6.1 49.0 4.5 51.0 9.1 55.0 7.7 57.0 4.0 59.0 3.6 61.0 4.1 63.0 1.4 64.0 8.7 65.0 33.1 67.0 1.7 69.0 14.7 72.0 1.0 73.0 4.1 75.0 22.6 76.0 2.2 77.0 75.1 78.0 7.7 83.0 1.2 87.0 1.0 89.0 2.5 90.0 1.7 91.0 3.2 93.0 11.2 94.0 4.4 95.0 98.8 96.0 4.9 97.0 6.1 100.0 2.5 101.0 3.5 102.0 1.3 103.0 2.1 105.0 2.3 106.0 1.4 107.0 3.0 108.0 8.2 109.0 33.2 110.0 1.8 111.0 1.1 113.0 4.7 115.0 1.2 119.0 2.8 120.0 1.1 121.0 29.5 122.0 7.8 123.0 1.0 125.0 3.3 126.0 10.5 127.0 8.1 128.0 4.8 131.0 2.5 132.0 1.1 133.0 5.3 139.0 6.4 145.0 2.0 150.0 5.6 151.0 2.9 152.0 2.3 153.0 5.0 156.0 5.2 157.0 1.5 158.0 4.0 159.0 1.9 160.0 1.0 163.0 3.9 170.0 12.6 171.0 3.0 172.0 1.8 183.0 6.7 189.0 1.5 190.0 15.6 191.0 1.5 200.0 3.2 201.0 2.9 203.0 6.6 220.0 19.4 221.0 2.2 240.0 32.4 241.0 3.2 249.0 5.4 260.0 6.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H10 F8 O2 0.05 ml : 0.5 ml DMSO-d6 3,3,4,4,5,5,6,6-octafluoro-1,8-octanediol 
Assign. Shift(ppm)
A 4.91 B 3.732 C 2.324
Hz ppm Int.1968.26 4.925 482 1962.77 4.912 1000 1957.28 4.898 494 1500.98 3.756 296 1494.26 3.739 651 1488.77 3.726 646 1482.06 3.709 314 955.08 2.390 59 948.73 2.374 107 942.02 2.358 73 935.55 2.341 134 929.20 2.326 221 922.61 2.309 131 916.14 2.293 84 909.42 2.276 119 903.08 2.260 66
liquid film
