Tetrabutylammonium cyanoborohydride(43064-96-6) IR2
Product NameTetrabutylammonium cyanoborohydride
CAS43064-96-6
Molecular FormulaC17H39BN2
Molecular Weight282.32
InChIInChI=1S/C16H36N.CH3BN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;2H3/q+1;-1
InChIKey BOHYACMUNXBTGV-UHFFFAOYSA-N
Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.C(#N)[BH3-]
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MassMS-NW-9278 tetrabutylammonium cyanotrihydroborate C17H39BN2 (Mass of molecular ion: 282)
Source Temperature: 240 °C Sample Temperature: 210 °C Direct, 75 eV
18.0 3.1 26.0 1.2 27.0 8.0 28.0 10.9 29.0 17.0 30.0 7.2 39.0 3.2 41.0 16.1 42.0 7.8 43.0 17.2 44.0 8.2 55.0 3.6 56.0 2.9 57.0 9.5 58.0 7.3 70.0 1.3 72.0 1.2 84.0 2.7 86.0 3.2 98.0 3.4 100.0 41.2 101.0 2.9 128.0 1.2 140.0 1.8 142.0 100.0 143.0 10.4 184.0 3.7 185.0 5.9 186.0 1.7 242.0 31.7 243.0 5.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C17 H39 B N2 0.041 g : 0.5 ml CDCl3 tetrabutylammonium cyanotrihydroborate 
Assign. Shift(ppm)
A 3.269 B 1.71 to 1.34 C 1.027
Hz ppm Int.301.44 3.366 187 294.81 3.292 236 285.13 3.184 271 153.50 1.714 175 140.19 1.566 328 127.88 1.428 212 120.38 1.345 159 109.50 1.223 35 108.75 1.215 32 108.25 1.209 32 107.69 1.203 33 97.44 1.088 537 91.19 1.019 1000 83.94 0.938 239
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
