111-86-4

正辛胺(111-86-4)質(zhì)譜(MS)

產(chǎn)品名稱:正辛胺

CAS:111-86-4

分子式:C8H19N

分子量: 129.24

InChI:InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3

InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N

Smiles:C(N)CCCCCCC

Mass

MS-NW-0666          
octylamine
C8H19N              (Mass of molecular ion:    129)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       3.9
      27.0       2.6
      28.0       1.7
      29.0       3.1
      30.0     100.0
      31.0       1.9
      39.0       1.7
      41.0       5.3
      42.0       2.0
      43.0       3.5
      44.0       5.5
      45.0       5.4
      55.0       2.8
      56.0       2.3
      57.0       1.1
      59.0       1.0
      69.0       1.9
      70.0       1.2
      72.0       1.0
      86.0       2.3
     100.0       1.0
     140.0       1.1

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A             2.68
      B             1.69
      C             1.43
      D             1.28
      E             0.881

     Hz     ppm     Int.

    246.19   2.749     46
    244.94   2.735     52
    244.56   2.731     53
    243.56   2.720     58
    242.63   2.710     66
    240.06   2.681     93
    236.56   2.642     61
    236.25   2.638     60
    235.88   2.634     60
    235.25   2.627     62
    234.69   2.621     64
    234.19   2.615     64
    233.31   2.606     61
    232.31   2.594     51
    151.06   1.687    127
    141.13   1.576     46
    138.19   1.543     46
    137.13   1.532     53
    136.31   1.522     59
    135.88   1.518     62
    135.56   1.514     62
    134.63   1.504     62
    134.25   1.499     62
    133.56   1.492     62
    132.13   1.476     68
    128.19   1.432    109
    126.81   1.416    117
    114.50   1.279   1000
    104.19   1.164     63
    102.88   1.149     49
     84.00   0.938    129
     82.44   0.921    117
     78.94   0.882    372
     75.00   0.838     73
     74.63   0.834     71
     72.81   0.813     91

in CDCl3