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13889-98-0

1-乙酰哌嗪(13889-98-0)核磁图(13CNMR)

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

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    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

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

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liquid film

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