13889-98-0

1-乙酰哌嗪(13889-98-0)质谱(MS)

产品名称:1-乙酰哌嗪

CAS:13889-98-0

分子式:C6H12N2O

分子量: 128.17

InChI:InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3

InChIKey: PKDPUENCROCRCH-UHFFFAOYSA-N

Smiles:C(=O)(N1CCNCC1)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9312          
1-acetylpiperazine
C6H12N2O            (Mass of molecular ion:    128)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       7.5
      18.0       1.9
      26.0       2.2
      27.0       7.3
      28.0      26.7
      29.0      17.0
      30.0      20.1
      31.0       1.3
      40.0       1.8
      41.0       6.6
      42.0      19.9
      43.0      43.6
      44.0     100.0
      45.0       3.4
      54.0       4.6
      55.0      13.6
      56.0      95.9
      57.0      33.0
      58.0      14.2
      60.0       1.4
      68.0       2.9
      69.0      86.8
      70.0       6.3
      71.0       2.0
      72.0       1.2
      73.0       4.5
      74.0       5.1
      83.0       3.3
      84.0       2.9
      85.0      41.9
      86.0      10.7
      87.0       1.3
      99.0       1.4
     113.0       1.2
     126.0       1.0
     128.0      18.6
     129.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ N₂ O	0.05 ml : 0.5 ml CDCl₃
1-acetylpiperazine

    Assign.     Shift(ppm)

      A     *1      3.571
      B     *1      3.438
      C     *2      2.866
      D     *2      2.823
      E             2.090
      F             1.92

     Hz     ppm     Int.

   1432.50   3.585    148
   1427.37   3.572    161
   1422.12   3.559    148
   1379.39   3.452    160
   1374.39   3.439    167
   1369.14   3.426    167
   1150.51   2.879    182
   1145.39   2.866    183
   1140.26   2.854    168
   1137.08   2.846     32
   1133.54   2.837    185
   1128.42   2.824    178
   1123.29   2.811    161
    835.57   2.091   1000
    767.82   1.922     66

in CDCl3