1-甲醛哌嗪(7755-92-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-甲醛哌嗪

CAS:7755-92-2

分子式:C5H10N2O

分子量: 114.15

InChI:InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2

InChIKey: MSSDTZLYNMFTKN-UHFFFAOYSA-N

Smiles:N1(C=O)CCNCC1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5684          
1-piperazinecarbaldehyde
C5H10N2O            (Mass of molecular ion:    114)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       6.0
      18.0       1.4
      26.0       3.2
      27.0      10.4
      28.0      36.8
      29.0      32.3
      30.0      26.3
      40.0       2.1
      41.0       7.7
      42.0      34.2
      43.0      12.6
      44.0      68.3
      45.0       2.0
      52.0       1.1
      53.0       1.0
      54.0       6.6
      55.0      23.4
      56.0     100.0
      57.0      34.9
      58.0       9.3
      59.0       2.3
      60.0       3.2
      68.0       1.8
      69.0      59.1
      70.0       3.6
      71.0       2.4
      72.0      32.4
      73.0       2.0
      83.0       3.1
      84.0       2.3
      85.0      32.1
      86.0       6.5
      87.0       3.4
      97.0       3.1
     112.0       1.6
     113.0       1.6
     114.0      29.0
     115.0       2.1
     142.0       5.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ N₂ O	0.05 ml : 0.5 ml CDCl₃
1-piperazinecarbaldehyde

    Assign.     Shift(ppm)

      A             8.027
      B             3.511
      C             3.364
      D             2.872
      E             2.822
      F             2.00
     
     ASSIGNED BY H-H COSY.
     PEAK E INCLUDES IMPURITY.

     Hz     ppm     Int.

   3208.13   8.028    985
   1408.33   3.524    701
   1403.20   3.512    746
   1397.95   3.498    711
   1349.61   3.377    793
   1344.60   3.365    805
   1343.14   3.361    475
   1339.48   3.352    866
   1152.71   2.885   1000
   1149.17   2.876    500
   1147.58   2.872    916
   1146.24   2.869    490
   1142.46   2.859    878
   1126.46   2.819    825
   1121.46   2.807    794
    798.83   1.999    245

in CDCl3