34798-80-6

methyl (4-phenyl-4-piperidyl) ketone(34798-80-6)质谱(MS)

产品名称:methyl (4-phenyl-4-piperidyl) ketone

CAS:34798-80-6

分子式:C13H17NO

分子量: 203.28

InChI:InChI=1S/C13H17NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3

InChIKey: RKHWHRHOEKYEJW-UHFFFAOYSA-N

Smiles:C(=O)(C1(C2=CC=CC=C2)CCNCC1)C

Mass

MS-NW-8849          
4-acetyl-4-phenylpiperidine
C13H17NO            (Mass of molecular ion:    203)

   Source Temperature: 280 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.0
      17.0       1.2
      18.0       6.3
      27.0       1.7
      28.0       6.0
      29.0       2.0
      30.0      12.5
      39.0       1.7
      41.0       2.3
      42.0     100.0
      43.0      28.8
      44.0      13.3
      51.0       2.6
      53.0       3.2
      55.0       1.2
      56.0      65.2
      57.0      78.1
      58.0       5.9
      63.0       1.0
      65.0       2.4
      70.0       1.2
      77.0       8.5
      78.0       1.9
      79.0       1.2
      80.0       1.2
      82.0       3.9
      83.0       1.6
      86.0       1.0
      89.0       1.0
      91.0      20.8
      92.0       2.2
      99.0       1.8
     102.0       2.1
     103.0      12.4
     104.0       2.0
     105.0       4.9
     106.0       1.0
     115.0       8.0
     116.0       4.3
     117.0       3.8
     118.0       1.7
     119.0       1.6
     127.0       1.7
     128.0       4.2
     129.0       5.4
     130.0       3.4
     131.0       8.4
     132.0       2.2
     133.0       1.5
     143.0       2.3
     144.0       1.9
     145.0       2.1
     146.0       1.2
     147.0       2.5
     148.0       8.2
     158.0       3.7
     159.0       1.9
     160.0      31.4
     161.0       5.0
     186.0       4.2
     188.0       4.8
     202.0       1.6
     203.0      31.4
     204.0       5.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₇ N O	0.037 g : 0.5 ml CDCl₃
4-acetyl-4-phenylpiperidine

    Assign.     Shift(ppm)

      A             7.355
      B             7.308
      C             7.267
      E             2.99
      F             2.81
      G             2.40
      J             2.33
      K             1.97
      L             1.906

     Hz     ppm     Int.

   2949.58   7.381     41
   2948.73   7.379     60
   2942.14   7.362    113
   2941.04   7.360    151
   2940.31   7.358    125
   2935.91   7.347     61
   2933.96   7.342    174
   2924.19   7.317    161
   2922.61   7.313    208
   2916.38   7.298    131
   2915.53   7.296    107
   2911.38   7.285     66
   2910.03   7.282     69
   2908.45   7.278     41
   2905.03   7.269     46
   2902.95   7.264    107
   2895.87   7.247     43
   1202.27   3.009     38
   1189.82   2.978     53
    968.02   2.423     46
    954.35   2.388     55
    932.62   2.334     49
    801.15   2.005     34
    797.61   1.996     36
    787.60   1.971     59
    784.42   1.963     41
    777.47   1.946     31
    774.17   1.938     30
    773.56   1.936     30
    761.72   1.906   1000

in CDCl3

KBr disc

nujol mull

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