TETRAPENTYLAMMONIUM BROMIDE(866-97-7) MS
Product NameTETRAPENTYLAMMONIUM BROMIDE
CAS866-97-7
Molecular FormulaC20H44BrN
Molecular Weight378.48
InChIInChI=1S/C20H44N.BrH/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 SPALIFXDWQTXKS-UHFFFAOYSA-M
Smiles[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[Br-]
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MassMS-NW-9111 tetrapentylammonium bromide C20H44BrN (Mass of molecular ion: 377)
Source Temperature: 240 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 5.7 27.0 4.7 28.0 1.9 29.0 7.8 30.0 4.6 39.0 2.3 41.0 12.4 42.0 8.8 43.0 38.0 44.0 8.6 55.0 6.7 56.0 1.3 57.0 1.7 58.0 7.0 69.0 1.9 70.0 2.0 71.0 20.5 72.0 1.2 84.0 3.2 98.0 1.1 100.0 2.6 112.0 3.2 114.0 37.1 115.0 3.1 156.0 1.1 170.0 100.0 171.0 12.6 227.0 3.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C20 H44 Br N 0.046 g : 0.5 ml CDCl3 tetrapentylammonium bromide 
Assign. Shift(ppm)
A 3.38 B 1.71 C 1.59 to 1.18 D 0.93
Hz ppm Int.312.06 3.485 214 311.69 3.481 202 310.31 3.465 172 309.88 3.461 160 309.38 3.455 166 309.06 3.451 166 306.81 3.426 232 306.13 3.419 241 305.06 3.407 259 304.75 3.403 262 304.44 3.400 254 301.94 3.372 202 301.38 3.366 204 300.69 3.358 215 300.31 3.354 216 299.88 3.349 209 299.06 3.340 192 298.44 3.333 186 298.00 3.328 191 295.75 3.303 326 160.19 1.789 137 159.56 1.782 136 159.19 1.778 141 158.75 1.773 143 158.13 1.766 150 157.00 1.754 157 156.56 1.749 165 155.88 1.741 173 155.44 1.736 175 155.06 1.732 183 154.69 1.728 181 154.38 1.724 178 153.81 1.718 180 153.19 1.711 182 152.63 1.705 184 152.06 1.698 185 151.63 1.694 188 151.19 1.689 187 150.81 1.684 186 150.25 1.678 185 149.63 1.671 185 148.88 1.663 180 147.94 1.652 176 146.94 1.641 171 146.50 1.636 177 145.81 1.629 175 145.38 1.624 176 145.00 1.620 179 143.81 1.606 192 143.31 1.601 188 142.75 1.594 180 141.69 1.583 169 141.13 1.576 165 140.06 1.564 163 139.63 1.560 164 138.75 1.550 171 138.19 1.543 173 137.19 1.532 172 136.06 1.520 170 134.13 1.498 223 129.88 1.451 567 127.44 1.423 588 123.56 1.380 669 117.00 1.307 297 112.31 1.255 119 111.56 1.246 108 110.81 1.238 95 110.38 1.233 91 92.25 1.031 104 88.38 0.987 390 86.31 0.964 326 86.00 0.961 331 82.69 0.924 1000 77.06 0.861 313 73.88 0.825 147 73.25 0.818 133
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
