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15029-30-8

1-氰基乙酰哌啶(15029-30-8)Raman光谱

产品名称:1-氰基乙酰哌啶

CAS:15029-30-8

分子式:C8H12N2O

分子量: 152.19

InChI:InChI=1S/C8H12N2O/c9-5-4-8(11)10-6-2-1-3-7-10/h1-4,6-7H2

InChIKey: ANLQHFYDQPMDJY-UHFFFAOYSA-N

Smiles:N1(CCCCC1)C(=O)CC#N

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    Mass

    MS-IW-0013          
    3-piperidinoglyoxylonitrile
    C8H12N2O            (Mass of molecular ion:    152)
    

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

          15.0       4.2
          17.0       1.5
          18.0       7.4
          26.0       1.9
          27.0      12.9
          28.0      19.3
          29.0      11.6
          30.0      11.2
          39.0      11.9
          40.0      12.5
          41.0      54.5
          42.0      28.3
          43.0      17.0
          44.0      22.4
          45.0       1.3
          51.0       1.1
          52.0       1.3
          53.0       3.9
          54.0       8.2
          55.0      19.2
          56.0      41.9
          57.0      12.7
          58.0       1.2
          67.0       8.6
          68.0      29.4
          69.0      55.9
          70.0      19.0
          71.0       1.4
          72.0       2.2
          73.0       2.5
          80.0       3.6
          81.0       3.0
          82.0      22.4
          83.0      37.0
          84.0      40.9
          85.0       5.1
          86.0       1.2
          95.0       2.7
          96.0       3.6
          97.0      20.9
          98.0       4.0
         108.0       1.3
         109.0      23.5
         110.0      23.8
         111.0       7.3
         112.0      25.6
         113.0       1.8
         123.0      10.7
         124.0       3.8
         125.0       5.5
         137.0       6.1
         151.0      19.5
         152.0     100.0
         153.0      12.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H12 N2 O 0.033 g : 0.5 ml CDCl3
    3-piperidinoglyoxylonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.570 B 3.524 C 3.394 D *1 1.68 E *1 1.65 F 1.586 ASSIGNED BY C-H AND H-H COSY.

         Hz     ppm     Int.
    

       1432.50   3.585    174
       1426.88   3.571    192
       1421.39   3.557    164
       1413.45   3.537     41
       1408.45   3.525   1000
       1403.20   3.512     36
       1361.82   3.408    146
       1355.83   3.393    174
       1351.32   3.382    129
        679.57   1.701     45
        677.00   1.694     59
        675.17   1.690     75
        672.00   1.682    114
        667.72   1.671    210
        665.16   1.665    258
        663.45   1.661    218
        659.06   1.650    131
        651.73   1.631     66
        648.19   1.622     48
        644.53   1.613     61
        642.58   1.608     57
        639.16   1.600    105
        633.42   1.585    130
        628.42   1.573     88
        622.44   1.558     39
    

in CDCl3

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KBr disc

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nujol mull

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