Tetrabutylammonium cyanoborohydride(43064-96-6) ¹³C NMR

Product NameTetrabutylammonium cyanoborohydride

CAS 43064-96-6

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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Mass

MS-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

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