Product NameTetrabutyl ammonium chloride
CAS1112-67-0
Molecular FormulaC16H36ClN
Molecular Weight277.92
InChIInChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey NHGXDBSUJJNIRV-UHFFFAOYSA-M
Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.[Cl-]
Mass
MS-NW-8201 tetrabutylammonium chloride C16H36ClN (Mass of molecular ion: 277)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
26.0 1.1 27.0 8.9 28.0 20.7 29.0 17.6 30.0 6.8 39.0 4.6 41.0 24.5 42.0 7.9 43.0 8.2 44.0 11.4 55.0 4.9 56.0 19.0 57.0 15.5 58.0 8.9 70.0 1.7 72.0 1.2 84.0 3.2 86.0 3.5 98.0 3.7 100.0 46.4 101.0 3.4 128.0 1.1 142.0 100.0 143.0 10.6 184.0 1.2 185.0 6.5 186.0 1.1 242.0 2.0
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C16 H36 Cl N | 0.046 g : 0.5 ml CDCl3 |
tetrabutylammonium chloride |
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Assign. Shift(ppm) |
Hz ppm Int.
328.63 3.670 33 328.13 3.664 32 306.06 3.418 274 302.06 3.373 250 301.19 3.363 250 300.75 3.359 250 300.31 3.354 250 299.56 3.345 249 297.56 3.323 255 140.56 1.570 376 135.13 1.509 308 127.75 1.427 264 121.06 1.352 173 109.75 1.226 37 109.31 1.221 36 108.56 1.213 36 107.56 1.201 34 106.94 1.195 33 106.25 1.187 33 106.13 1.186 33 96.25 1.075 581 90.31 1.009 1000 83.94 0.938 306
in CDCl3
CCl4 solution
KBr disc
liquid film
nujol mull
Tetrabutyl ammonium chloride(1112-67-0) 13C NMR Atlas of Related Products
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