29976-53-2

N-Carbethoxy-4-piperidone (29976-53-2) ¹³C NMR

Product NameN-Carbethoxy-4-piperidone

CAS 29976-53-2

Molecular FormulaC8H13NO3

Molecular Weight171.19

InChIInChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3

InChIKey LUBGFMZTGFXIIN-UHFFFAOYSA-N

SmilesN1(C(OCC)=O)CCC(=O)CC1

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N-Carbethoxy-4-piperidone (29976-53-2) <sup>13</sup>C NMR
Mass

MS-NW-8630          
ethyl 4-oxo-1-piperidinecarboxylate
C8H13NO3            (Mass of molecular ion:    171)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       7.6
      18.0       1.3
      26.0       3.5
      27.0      28.0
      28.0      36.1
      29.0      94.9
      30.0      12.2
      31.0       1.1
      39.0       2.4
      40.0       2.9
      41.0       8.8
      42.0     100.0
      43.0      23.1
      44.0       3.6
      45.0       2.7
      53.0       1.7
      54.0       4.4
      55.0      19.2
      56.0      84.6
      57.0      47.1
      58.0       2.9
      60.0       1.0
      68.0       1.3
      69.0       2.3
      70.0      22.4
      71.0       5.9
      72.0       1.7
      73.0       1.1
      74.0       2.4
      82.0       2.0
      84.0       7.0
      85.0       3.3
      86.0       1.1
      87.0       3.2
      88.0       2.8
      91.0       1.9
      97.0       1.6
      98.0      41.6
      99.0       4.2
     100.0      56.9
     101.0       9.4
     102.0       5.0
     112.0       2.2
     114.0      12.3
     115.0       2.6
     116.0       1.1
     126.0      18.9
     127.0       1.5
     128.0       2.9
     129.0       2.1
     142.0      97.2
     143.0      14.3
     144.0       1.5
     170.0       1.0
     171.0      30.4
     172.0       5.0

90 MHz in CDCl3

N-Carbethoxy-4-piperidone (29976-53-2) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₈ H₁₃ N O₃	0.05 ml : 0.5 ml CDCl₃
ethyl 4-oxo-1-piperidinecarboxylate

    Assign.     Shift(ppm)

      A             4.184
      B             3.775
      C             2.455
      D             1.297
     
     C-H COSY

     Hz     ppm     Int.

    385.88   4.309    136
    378.63   4.228    447
    375.25   4.190     36
    371.56   4.149    473
    368.19   4.112     30
    364.56   4.071    165
    344.81   3.851    294
    338.69   3.782    520
    332.25   3.710    365
    327.63   3.659     30
    226.06   2.525    366
    219.75   2.454    541
    213.50   2.384    310
    123.25   1.377    485
    120.38   1.345     44
    119.19   1.331     55
    116.19   1.298   1000
    112.88   1.261     61
    112.75   1.259     61
    112.31   1.255     61
    111.25   1.243     57
    109.06   1.218    438

in CDCl3