1722-26-5

三乙胺-硼烷(1722-26-5)核磁图(¹³CNMR)

产品名称:三乙胺-硼烷

CAS:1722-26-5

分子式:C6H18BN

分子量: 115.02

InChI:InChI=1S/C6H18BN/c1-4-8(7,5-2)6-3/h4-6H2,1-3,7H3

InChIKey: ONRDAGWFOUZNLV-UHFFFAOYSA-N

Smiles:[N+]([BH3-])(CC)(CC)CC

Mass

MS-NW-8598          
borane-triethylamine complex
C6H15N H3B          (Mass of molecular ion:    115)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      13.0       1.3
      15.0       1.7
      18.0       1.8
      26.0       1.7
      27.0      11.2
      28.0      10.6
      29.0      15.9
      30.0      26.4
      39.0       1.3
      40.0       2.5
      41.0       3.1
      42.0      10.8
      43.0       1.7
      44.0      11.5
      53.0       1.9
      54.0       7.8
      55.0       1.5
      56.0       7.9
      57.0       1.8
      58.0      28.3
      59.0       1.0
      68.0       1.1
      69.0       1.4
      70.0       8.1
      71.0       1.5
      72.0       4.0
      81.0       1.4
      82.0       5.4
      83.0       3.9
      84.0      14.7
      85.0       1.5
      86.0     100.0
      87.0       6.0
      98.0       1.2
     100.0      12.5
     101.0      17.2
     102.0       1.3
     113.0       3.7
     114.0      15.0
     115.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₅ N	0.05 ml : 0.5 ml CDCl₃
borane-triethylamine complex

    Assign.     Shift(ppm)

      A             2.784
      B             1.6
      C             1.189

     Hz     ppm     Int.

   1123.78   2.812    227
   1116.46   2.794    531
   1109.13   2.776    543
   1101.81   2.757    237
    538.45   1.348     20
    482.91   1.209    697
    475.46   1.190   1000
    468.26   1.172    709
    454.10   1.137     28
    447.27   1.120     22
    446.90   1.119     22
    446.66   1.118     22
    444.70   1.113     21

in CDCl3