110-51-0

吡啶硼烷(110-51-0)質譜(MS)

產(chǎn)品名稱:吡啶硼烷

CAS:110-51-0

分子式:C5H8BN

分子量: 92.93

InChI:InChI=1S/C5H8BN/c6-7-4-2-1-3-5-7/h1-5H,6H3

InChIKey: LPGWNCNRGQANGC-UHFFFAOYSA-N

Smiles:[N+]1([BH3-])C=CC=CC=1

Mass

MS-IW-3731          
borane-pyridine complex
C5H5N H3B           (Mass of molecular ion:     93)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       8.1
      27.0       3.4
      28.0       3.6
      29.0       1.1
      31.0       2.4
      36.0       1.9
      37.0       6.5
      38.0       5.9
      38.5       1.4
      39.0      12.4
      39.5       1.0
      40.0       1.5
      45.0       1.4
      45.5       1.3
      49.0       4.5
      50.0      21.5
      51.0      34.8
      52.0      81.4
      53.0       9.9
      59.0       1.2
      61.0       1.7
      62.0       2.8
      63.0       6.4
      64.0       7.8
      65.0       5.6
      66.0       1.3
      75.0       2.2
      76.0       1.7
      78.0      13.9
      79.0     100.0
      80.0       8.6
      89.0       2.6
      90.0      11.9
      91.0      16.2
      92.0      29.4
      93.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₅ N	0.05 ml : 0.5 ml CDCl₃
borane-pyridine complex

    Assign.     Shift(ppm)

      A             8.59
      B             7.987
      C             7.568
      D             2.68

     Hz     ppm     Int.

   3439.82   8.608    250
   3435.55   8.597    962
   3429.57   8.582    829
   3201.90   8.012    145
   3200.44   8.009    267
   3199.83   8.007    257
   3198.36   8.003    140
   3192.75   7.989    545
   3192.14   7.988    522
   3186.52   7.974    180
   3184.94   7.970    310
   3184.45   7.969    299
   3182.86   7.965    165
   3031.37   7.586    928
   3030.03   7.582    479
   3025.88   7.572    547
   3024.66   7.569   1000
   3023.56   7.566    914
   3016.97   7.550    772
   1210.45   3.029     42
   1120.85   2.805     57
   1080.57   2.704     33
   1018.07   2.548     56
    928.96   2.325     41

in CDCl3