二正丁胺(111-92-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:二正丁胺

CAS:111-92-2

分子式:C8H19N

分子量: 129.24

InChI:InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3

InChIKey: JQVDAXLFBXTEQA-UHFFFAOYSA-N

Smiles:C(NCCCC)CCC

Mass

MS-NW-8462          
dibutylamine
C8H19N              (Mass of molecular ion:    129)

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

      18.0       1.4
      27.0       6.1
      28.0       6.2
      29.0      20.7
      30.0      61.9
      31.0       1.0
      39.0       3.5
      41.0      17.6
      42.0       4.6
      43.0       5.3
      44.0      72.0
      45.0       1.9
      55.0       3.1
      56.0       4.4
      57.0      17.3
      58.0       1.4
      70.0       1.5
      72.0       2.5
      84.0       1.7
      86.0     100.0
      87.0       5.9
     128.0       1.5
     129.0       7.1
     130.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₉ N	0.04 ml : 0.5 ml CDCl₃
dibutylamine

    Assign.     Shift(ppm)

      A             2.594
      B          1.56 to 1.25
      C             0.916

     Hz     ppm     Int.

    239.75   2.677    177
    233.00   2.602    394
    229.13   2.559    120
    228.63   2.553    124
    226.13   2.525    266
    222.81   2.488     45
    222.19   2.481     39
    146.06   1.631     55
    145.25   1.622     47
    144.56   1.615     45
    143.63   1.604     44
    142.50   1.592     65
    140.19   1.566    134
    137.69   1.538    243
    136.00   1.519    406
    133.75   1.494    283
    132.00   1.474    384
    128.75   1.438    439
    128.00   1.430    433
    127.56   1.425    437
    125.69   1.404    385
    124.56   1.391    476
    122.44   1.368    324
    121.38   1.356    342
    118.75   1.326    200
    116.38   1.300    167
    115.25   1.287    171
    113.63   1.269    103
    113.19   1.264    104
    109.81   1.227    127
    109.31   1.221    126
    107.31   1.199     76
    105.81   1.182     39
    105.25   1.176     44
    103.44   1.155     61
    102.25   1.142     65
     88.50   0.989    477
     82.13   0.918   1000
     79.69   0.890    305
     78.25   0.874    247
     76.19   0.851    180
     74.69   0.834    200
     72.81   0.813    108

in CDCl3