TETRAPROPYLAMMONIUM HEXAFLUOROPHOSPHATE(12110-21-3) 1H NMR
Product NameTETRAPROPYLAMMONIUM HEXAFLUOROPHOSPHATE
CAS12110-21-3
Molecular FormulaC12H28F6NP
Molecular Weight331.33
InChIInChI=1S/C12H28N.F6P/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7(2,3,4,5)6/h5-12H2,1-4H3;/q+1;-1
InChIKey GSYVZOSIIKEIBZ-UHFFFAOYSA-N
Smiles[P-](F)(F)(F)(F)(F)F.[N+](CCC)(CCC)(CCC)CCC
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MassMS-NW-7370 tetrapropylammonium hexafluorophosphate C12H28F6NP (Mass of molecular ion: 331)
Source Temperature: 190 °C Sample Temperature: 220 °C Direct, 75 eV
27.0 9.1 28.0 3.4 29.0 3.1 30.0 9.4 39.0 5.7 40.0 1.2 41.0 18.8 42.0 10.9 43.0 16.6 44.0 3.4 54.0 1.1 55.0 1.2 56.0 3.1 57.0 1.6 58.0 5.8 68.0 1.0 70.0 5.9 71.0 1.2 72.0 11.1 84.0 5.8 86.0 9.6 88.0 2.9 98.0 1.5 100.0 3.7 101.0 1.1 107.0 18.1 112.0 4.5 114.0 100.0 115.0 9.2 142.0 68.1 143.0 18.9 144.0 2.0 186.0 24.4 187.0 3.4
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H28 F6 N P 0.039 g : 0.5 ml DMSO-d6 tetrapropylammonium hexafluorophosphate 
Assign. Shift(ppm)
A 3.120 B 1.612 C 0.899
Hz ppm Int.1255.62 3.142 232 1250.73 3.130 162 1247.19 3.121 212 1242.92 3.111 163 1238.65 3.100 245 664.06 1.662 29 656.62 1.643 108 649.17 1.625 167 644.65 1.614 142 640.14 1.602 169 632.57 1.583 115 625.12 1.565 36 366.46 0.917 494 359.25 0.899 1000 351.93 0.881 441
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1H NMR 89.56 MHz C12 H28 F6 N P 0.041 g : 0.5 ml DMSO-d6 tetrapropylammonium hexafluorophosphate Assign. Shift(ppm)
A 3.121 B 1.608 C 0.906
Hz ppm Int.288.31 3.220 232 286.06 3.195 108 283.19 3.163 186 280.25 3.130 228 275.69 3.079 188 271.44 3.031 294 156.88 1.752 110 154.75 1.728 78 152.00 1.698 112 149.38 1.668 172 149.06 1.665 172 147.56 1.648 143 146.25 1.633 148 145.81 1.629 149 145.31 1.623 155 144.69 1.616 157 144.38 1.613 155 143.25 1.600 149 142.88 1.596 150 142.50 1.592 155 141.06 1.576 176 140.75 1.572 176 140.38 1.568 177 135.81 1.517 93 134.38 1.501 114 133.06 1.486 124 132.75 1.483 121 130.38 1.456 67 129.50 1.446 53 126.56 1.414 52 126.25 1.410 52 125.94 1.407 51 125.56 1.402 52 87.50 0.977 535 80.50 0.899 1000 73.06 0.816 326
KBr disc
nujol mull
4880 A,200 M,powder
