TETRA-N-PENTYLAMMONIUM CHLORIDE(4965-17-7) MS
Product NameTETRA-N-PENTYLAMMONIUM CHLORIDE
CAS4965-17-7
Molecular FormulaC20H44ClN
Molecular Weight334.03
InChIInChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey SXAWRMKQZKPHNJ-UHFFFAOYSA-M
Smiles[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[Cl-]
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MassMS-IW-3965 tetrapentylammonium chloride C20H44ClN (Mass of molecular ion: 333)
Source Temperature: 170 °C Sample Temperature: 300 °C Direct, 75 eV
27.0 2.1 29.0 4.0 30.0 1.8 39.0 1.3 41.0 8.0 42.0 8.8 43.0 11.0 44.0 3.3 55.0 8.2 56.0 1.2 57.0 2.7 58.0 2.6 69.0 1.4 70.0 10.7 71.0 1.5 84.0 2.6 98.0 1.2 100.0 1.9 112.0 2.7 114.0 18.5 115.0 1.5 156.0 1.0 168.0 2.7 170.0 100.0 171.0 12.6 196.0 3.7 226.0 1.2 227.0 4.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H44 Cl N 0.048 g : 0.5 ml CDCl3 tetrapentylammonium chloride 
Assign. Shift(ppm)
A 3.380 B 1.698 C 1.43 to 1.36 D 0.925
Hz ppm Int.1359.74 3.403 250 1354.49 3.390 177 1351.20 3.381 222 1347.78 3.373 177 1342.65 3.360 271 678.59 1.698 177 678.34 1.698 177 671.75 1.681 147 671.02 1.680 148 563.96 1.412 470 560.79 1.404 534 557.01 1.394 729 553.83 1.386 382 550.05 1.377 242 382.20 0.957 34 376.71 0.943 355 374.51 0.938 261 369.87 0.926 1000 367.68 0.921 339 362.79 0.908 332
in CDCl3
KBr disc
nujol mull
