Benzyltrimethylammonium hexafluorophosphate(6427-70-9) IR2
Product NameBenzyltrimethylammonium hexafluorophosphate
CAS6427-70-9
Molecular FormulaC10H16F6NP
Molecular Weight295.2
InChIInChI=1S/C10H16N.F6P/c1-11(2,3)9-10-7-5-4-6-8-10;1-7(2,3,4,5)6/h4-8H,9H2,1-3H3;/q+1;-1
InChIKey YVHTWMLHAAQMDD-UHFFFAOYSA-N
Smiles[P-](F)(F)(F)(F)(F)F.[N+](C)(C)(C)CC1=CC=CC=C1
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MassMS-NW-9120 benzyltrimethylammonium hexafluorophosphate C10H16F6NP (Mass of molecular ion: 295)
Source Temperature: 220 °C Sample Temperature: 210 °C Direct, 75 eV
15.0 2.4 17.0 2.6 18.0 15.8 20.0 1.7 27.0 1.1 28.0 3.7 29.0 2.2 30.0 13.9 38.0 1.0 39.0 6.5 40.0 1.0 41.0 3.0 42.0 11.5 43.0 4.3 44.0 3.0 45.5 1.4 50.0 1.7 51.0 3.4 52.0 1.5 56.0 1.8 57.0 4.1 58.0 100.0 59.0 60.0 60.0 2.6 62.0 1.5 63.0 5.9 64.0 1.7 65.0 29.3 66.0 1.7 73.0 1.9 77.0 1.1 83.0 1.7 88.0 2.5 89.0 8.4 90.0 4.5 91.0 66.1 92.0 9.4 107.0 12.5 109.0 11.0 110.0 5.8 134.0 12.8 135.0 4.0 149.0 1.1 150.0 38.9 151.0 4.5 169.0 8.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H16 F6 N P 0.039 g : 0.5 ml DMSO-d6 benzyltrimethylammonium hexafluorophosphate 
Assign. Shift(ppm)
A 7.54 B 4.514 C 3.031
Hz ppm Int.3012.82 7.539 409 3001.34 7.510 21 1804.20 4.515 233 1222.78 3.060 25 1211.30 3.031 1000
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
