Tetrabutylammonium borohydride(33725-74-5) MS
Product NameTetrabutylammonium borohydride
CAS33725-74-5
Molecular FormulaC16H40BN
Molecular Weight257.31
InChIInChI=1S/C16H36N.BH4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H4/q+1;-1
InChIKey GMBOFJFPOCGSOI-UHFFFAOYSA-N
Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.[BH4-]
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MassMS-NW-8855 tetrabutylammonium borohydride C16H40BN (Mass of molecular ion: 257)
Source Temperature: 240 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 2.2 27.0 5.4 28.0 6.2 29.0 16.3 30.0 4.6 39.0 2.6 40.0 1.0 41.0 15.3 42.0 6.8 43.0 26.3 44.0 6.8 54.0 1.6 55.0 4.0 56.0 4.9 57.0 13.5 58.0 8.8 70.0 1.5 72.0 1.0 82.0 1.3 84.0 2.2 86.0 2.7 95.0 2.3 96.0 9.4 97.0 1.5 98.0 6.1 100.0 31.2 101.0 2.2 122.0 1.1 124.0 1.6 128.0 1.0 138.0 3.6 139.0 1.0 140.0 3.3 142.0 100.0 143.0 10.3 154.0 2.0 184.0 1.8 185.0 7.8 186.0 1.1 194.0 3.8 195.0 6.4 196.0 21.2 197.0 3.6 198.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H40 B N 0.042 g : 0.5 ml CDCl3 tetrabutylammonium borohydride 
Assign. Shift(ppm)
A 3.32 B 1.65 C 1.42 D 1.01 E 0.289
Hz ppm Int.306.59 3.424 166 299.76 3.348 208 297.02 3.317 154 296.08 3.306 152 295.23 3.297 147 294.63 3.290 147 290.19 3.241 236 165.00 1.843 47 163.81 1.830 46 158.85 1.774 110 157.74 1.762 105 157.14 1.755 107 156.71 1.750 107 152.53 1.704 162 150.90 1.685 156 149.54 1.670 160 149.19 1.666 159 145.01 1.620 203 139.37 1.557 279 136.04 1.519 201 134.67 1.504 216 133.90 1.496 215 127.23 1.421 169 125.95 1.407 170 122.45 1.368 389 119.71 1.337 134 112.88 1.261 54 96.04 1.073 503 89.81 1.003 1000 83.57 0.934 174 82.29 0.919 247 80.66 0.901 119 54.94 0.614 34 40.93 0.458 287 27.60 0.309 37 -26.91 -0.300 35 -40.58 -0.453 277 -81.51 -0.910 41 -122.01 -1.362 274
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
