2615-25-0

反式-1,4-环己二胺(2615-25-0)红外图谱(IR2)

产品名称:反式-1,4-环己二胺

CAS:2615-25-0

分子式:C6H14N2

分子量: 114.19

InChI:InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2/t5-,6-

InChIKey: VKIRRGRTJUUZHS-IZLXSQMJSA-N

Smiles:[C@@H]1(N)CC[C@@H](N)CC1

Mass

MS-IW-8185          
trans-1,4-cyclohexanediamine
C6H14N2             (Mass of molecular ion:    114)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       5.6
      27.0       1.8
      28.0       7.2
      29.0       1.7
      30.0       7.2
      39.0       2.0
      41.0      10.0
      42.0       8.1
      43.0      46.0
      44.0       9.4
      53.0       1.1
      54.0       2.7
      55.0       2.0
      56.0      23.4
      57.0      21.0
      58.0     100.0
      59.0       4.9
      67.0       1.5
      68.0       9.5
      69.0       6.5
      70.0       2.1
      71.0       1.7
      77.0       2.3
      79.0       3.7
      80.0       1.9
      81.0       2.9
      82.0       9.0
      84.0       1.1
      85.0       2.2
      96.0      10.5
      97.0      29.0
      98.0       5.6
     115.0       2.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₄ N₂	0.036 g : 0.5 ml DMSO-d₆
trans-1,4-cyclohexanediamine

    Assign.     Shift(ppm)

      A             2.432
      B             1.9
      C             1.67
      D             0.99

     Hz     ppm     Int.

    983.64   2.462    118
    980.71   2.454    176
    980.22   2.453    175
    977.17   2.446    237
    973.51   2.436    329
    970.09   2.428    388
    966.67   2.419    338
    963.01   2.410    263
    959.72   2.402    196
    956.67   2.394    136
    683.59   1.711    139
    682.37   1.708    141
    677.00   1.694    210
    673.71   1.686    620
    670.29   1.678    935
    664.31   1.663   1000
    662.60   1.658    746
    660.89   1.654    680
    657.35   1.645    233
    652.10   1.632    169
    651.37   1.630    168
    416.02   1.041    140
    404.66   1.013    760
    401.61   1.005    447
    395.63   0.990    960
    394.17   0.987    988
    388.31   0.972    436
    385.01   0.964    684
    373.66   0.935    121

in DMSO-d6