1H,1H,2H,2H-Perfluoro-1-decanol(678-39-7) MS
Product Name1H,1H,2H,2H-Perfluoro-1-decanol
CAS678-39-7
Molecular FormulaC10H5F17O
Molecular Weight464.12
InChIInChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
InChIKey JJUBFBTUBACDHW-UHFFFAOYSA-N
SmilesC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
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MassMS-IW-7454 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol C10H5F17O (Mass of molecular ion: 464)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.1 28.0 2.4 29.0 12.2 30.0 2.4 31.0 100.0 32.0 2.6 43.0 1.5 44.0 1.6 45.0 2.5 47.0 2.3 49.0 9.4 51.0 5.3 58.0 1.9 64.0 3.9 65.0 20.5 67.0 1.8 69.0 34.0 75.0 6.0 77.0 10.1 93.0 2.8 95.0 67.8 96.0 2.3 100.0 5.4 107.0 1.1 113.0 1.4 115.0 1.3 119.0 9.7 126.0 1.0 127.0 16.1 131.0 12.1 145.0 1.9 157.0 1.8 169.0 4.0 181.0 2.2 231.0 1.1 395.0 3.1 396.0 3.9 405.0 3.7 414.0 2.2 415.0 1.2 444.0 4.1 463.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H5 F17 O 0.039 g : 0.5 ml CDCl3 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol 
Assign. Shift(ppm)
A 3.995 B 2.392 C 1.84
Hz ppm Int.1602.05 4.009 594 1597.78 3.998 1000 1592.04 3.984 638 1580.93 3.956 93 1579.10 3.952 80 1578.13 3.949 70 1577.76 3.948 68 1577.27 3.947 65 1576.42 3.945 61 1575.20 3.942 55 1574.71 3.941 54 1574.34 3.940 52 1573.73 3.938 49 1573.12 3.937 51 1572.27 3.935 45 1571.66 3.933 44 1571.29 3.932 44 1570.68 3.931 41 1570.19 3.929 41 1569.58 3.928 38 1568.60 3.925 37 1567.63 3.923 36 1567.14 3.922 34 1566.77 3.921 34 1566.28 3.920 33 1565.67 3.918 31 1565.31 3.917 36 1564.82 3.916 30 1564.33 3.915 31 1563.96 3.914 31 1562.01 3.909 32 983.03 2.460 196 976.68 2.444 336 970.21 2.428 238 963.87 2.412 385 957.64 2.397 630 953.74 2.387 309 951.42 2.381 381 944.95 2.365 259 938.84 2.350 356 932.50 2.334 206 927.12 2.320 73 926.03 2.318 70 925.17 2.315 63 924.68 2.314 59 923.95 2.312 59 923.58 2.311 57 922.85 2.310 52 922.36 2.308 52 921.63 2.307 50 920.65 2.304 46 920.04 2.303 42 919.19 2.300 40 918.70 2.299 40 918.09 2.298 38 917.60 2.297 37 916.75 2.294 34 916.38 2.293 33 915.89 2.292 33 915.53 2.291 32 914.92 2.290 31 735.60 1.841 508
KBr disc
nujol mull
