Tetrabutylammonium bromide(1643-19-2) Raman
Product NameTetrabutylammonium bromide
CAS1643-19-2
Molecular FormulaC16H36BrN
Molecular Weight322.37
InChIInChI=1S/C16H36N.BrH/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 JRMUNVKIHCOMHV-UHFFFAOYSA-M
Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-]
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MassMS-NW-8192 tetrabutylammonium bromide C16H36BrN (Mass of molecular ion: 321)
Source Temperature: 200 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 1.0 26.0 1.0 27.0 8.2 28.0 4.9 29.0 22.2 30.0 7.2 39.0 4.5 41.0 26.8 42.0 6.8 43.0 4.0 44.0 9.7 55.0 4.9 56.0 6.6 57.0 38.7 58.0 7.3 70.0 1.5 72.0 1.1 84.0 2.8 86.0 3.6 98.0 3.4 100.0 36.2 101.0 2.6 107.0 1.0 128.0 1.0 136.0 2.0 138.0 2.0 140.0 1.0 142.0 100.0 143.0 10.5 184.0 1.0 185.0 6.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H36 Br N 0.049 g : 0.5 ml CDCl3 tetrabutylammonium bromide 
Assign. Shift(ppm)
A 3.40 B 1.68 C 1.45 D 1.02
Hz ppm Int.312.94 3.495 172 310.44 3.467 118 306.31 3.421 207 303.31 3.387 148 303.00 3.384 147 302.56 3.379 146 301.25 3.364 143 300.94 3.361 142 299.25 3.342 129 296.75 3.314 246 292.50 3.266 34 169.56 1.894 34 169.19 1.890 36 168.44 1.881 41 168.06 1.877 40 166.81 1.863 37 165.69 1.851 42 162.00 1.809 102 161.69 1.806 102 160.25 1.790 97 159.88 1.786 97 154.69 1.728 149 153.50 1.714 151 153.06 1.710 152 152.75 1.706 151 151.88 1.696 146 151.25 1.689 140 150.31 1.679 143 150.00 1.675 145 147.00 1.642 192 143.63 1.604 208 143.31 1.601 209 140.88 1.574 262 135.06 1.509 208 128.38 1.434 175 127.25 1.421 187 123.38 1.378 87 120.88 1.350 140 116.25 1.299 36 114.13 1.275 60 101.94 1.139 41 100.63 1.124 42 96.81 1.081 513 90.56 1.012 1000 83.06 0.928 225 78.25 0.874 31
in CDCl3
KBr disc
nujol mull
