高哌嗪(505-66-8)紅外圖譜(IR1)

產(chǎn)品名稱:高哌嗪

CAS:505-66-8

分子式:C5H12N2

分子量: 100.16

InChI:InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2

InChIKey: FQUYSHZXSKYCSY-UHFFFAOYSA-N

Smiles:N1CCCNCC1

Mass

MS-NW-1431          
hexahydro-1,4-diazepine
C5H12N2             (Mass of molecular ion:    100)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       6.6
      18.0       3.3
      26.0       1.4
      27.0       7.0
      28.0      24.4
      29.0       6.1
      30.0      43.2
      31.0       1.1
      32.0       3.3
      39.0       5.1
      40.0       2.0
      41.0      14.4
      42.0      26.6
      43.0     100.0
      44.0      71.3
      45.0       3.9
      54.0       1.7
      55.0       2.2
      56.0      17.9
      57.0      28.7
      58.0      37.7
      59.0       1.6
      68.0       3.6
      69.0      18.6
      70.0      29.5
      71.0       9.4
      83.0       1.0
      85.0       4.8
      99.0      50.5
     100.0      24.1
     101.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ N₂	0.041 g : 0.5 ml CDCl₃
hexahydro-1,4-diazepine

    Assign.     Shift(ppm)

      A             2.926
      B             2.897
      C             1.77
      D             1.76

     Hz     ppm     Int.

    268.31   2.996    134
    262.56   2.932    208
    259.44   2.897   1000
    256.56   2.865    182
    168.00   1.876     23
    167.44   1.870     24
    163.00   1.821     30
    161.88   1.808     45
    161.25   1.801     49
    158.19   1.767    793
    155.88   1.741     79
    151.06   1.687     24
    149.75   1.673     31
    149.06   1.665     31

in CDCl3