己二胺(124-09-4)質(zhì)譜(MS)

產(chǎn)品名稱:己二胺

CAS:124-09-4

分子式:C6H16N2

分子量: 116.2

InChI:InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2

InChIKey: NAQMVNRVTILPCV-UHFFFAOYSA-N

Smiles:C(N)CCCCCN

Mass

MS-NW-8690          
hexamethylenediamine
C6H16N2             (Mass of molecular ion:    116)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       6.0
      27.0       1.8
      28.0       4.9
      29.0       1.7
      30.0     100.0
      31.0       4.1
      39.0       1.7
      41.0       5.4
      42.0       6.1
      43.0       3.4
      44.0       6.9
      45.0       5.9
      55.0       3.9
      56.0      18.7
      57.0       2.1
      59.0       3.0
      67.0       1.1
      69.0       2.7
      70.0       5.6
      72.0       3.2
      73.0       2.1
      82.0       1.5
      86.0       5.1
      87.0      12.5
      98.0       1.2
      99.0       3.5
     100.0       3.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₆ N₂	0.042 g : 0.5 ml CDCl₃
hexamethylenediamine

    Assign.     Shift(ppm)

      A             2.678
      B             1.49
      C             1.36
      D             1.22

     Hz     ppm     Int.

    246.81   2.756    139
    245.31   2.740    138
    240.31   2.684    488
    237.00   2.647    105
    233.94   2.613    233
    143.44   1.602     31
    142.81   1.595     31
    141.81   1.584     32
    141.38   1.579     33
    140.75   1.572     34
    136.75   1.527     98
    135.38   1.512     95
    131.44   1.468    140
    122.06   1.363    769
    115.69   1.292     82
    115.00   1.285     79
    114.38   1.278     82
    109.25   1.220   1000
    101.94   1.139     24

in CDCl3