Tetrabutylammonium hexafluorophosphate(3109-63-5) MS
Product NameTetrabutylammonium hexafluorophosphate
CAS3109-63-5
Molecular FormulaC16H36F6NP
Molecular Weight387.43
InChIInChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1
InChIKey BKBKEFQIOUYLBC-UHFFFAOYSA-N
Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.[P-](F)(F)(F)(F)(F)F
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MassMS-IW-1337 tetrabutylammonium hexafluorophosphate C16H36F6NP (Mass of molecular ion: 387)
Source Temperature: 210 °C Sample Temperature: 240 °C Direct, 75 eV
26.0 1.0 27.0 5.6 28.0 8.4 29.0 15.2 30.0 7.5 39.0 4.5 41.0 22.0 42.0 7.0 43.0 8.0 44.0 9.1 53.0 1.1 55.0 5.6 56.0 8.0 57.0 9.7 58.0 6.7 70.0 1.7 72.0 1.4 84.0 3.6 86.0 3.2 88.0 2.2 98.0 4.5 100.0 46.7 101.0 3.3 107.0 8.4 128.0 1.4 140.0 2.1 142.0 100.0 143.0 10.5 184.0 7.9 185.0 6.2 242.0 3.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H36 F6 N P 0.036 g : 0.5 ml CDCl3 tetrabutylammonium hexafluorophosphate 
Assign. Shift(ppm)
A 3.148 B 1.599 C 1.410 D 0.989
Hz ppm Int.1267.09 3.171 173 1261.60 3.157 114 1258.54 3.150 140 1250.00 3.128 182 655.03 1.640 39 647.71 1.621 90 642.58 1.608 93 638.92 1.599 132 635.01 1.589 95 631.23 1.580 113 623.17 1.560 57 582.03 1.457 35 574.71 1.439 130 567.26 1.420 218 559.94 1.402 213 552.61 1.383 121 545.29 1.365 33 402.59 1.008 509 395.26 0.990 1000 387.94 0.971 434
in CDCl3
KBr disc
nujol mull
