Phenidone(92-43-3) ¹³C NMR

Product NamePhenidone

CAS 92-43-3

Molecular FormulaC9H10N2O

Molecular Weight162.19

InChIInChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)

InChIKey CMCWWLVWPDLCRM-UHFFFAOYSA-N

SmilesN1(C2=CC=CC=C2)CCC(=O)N1

Request For Quotation

Mass

MS-NW-1726          
1-phenyl-3-pyrazolidinone
C9H10N2O            (Mass of molecular ion:    162)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.0
      18.0       1.4
      26.0       3.1
      27.0      12.4
      28.0      10.3
      29.0       5.5
      37.0       1.5
      38.0       3.8
      39.0       9.2
      40.0       1.4
      41.0       2.0
      42.0       1.9
      43.0       1.7
      50.0      10.2
      51.0      35.1
      52.0       6.6
      53.0       1.1
      55.0      11.9
      56.0       1.4
      62.0       1.4
      63.0       5.2
      64.0       5.9
      65.0       7.8
      66.0       1.9
      74.0       2.7
      75.0       2.0
      76.0       3.0
      77.0      93.5
      78.0      12.3
      79.0       6.3
      90.0       1.3
      91.0      15.5
      92.0      19.2
      93.0       4.4
     104.0       5.2
     105.0      26.5
     106.0      21.8
     107.0      38.0
     108.0      11.3
     117.0       1.2
     118.0       1.8
     119.0      12.4
     120.0       6.2
     133.0       1.5
     160.0       2.4
     161.0       4.5
     162.0     100.0
     163.0      10.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ N₂ O	0.05 ml : 0.5 ml CDCl₃
1-phenyl-3-pyrazolidinone

    Assign.     Shift(ppm)

      A             9.47
      B             7.29
      C             7.04
      D             6.97
      E             3.902
      F             2.573

     Hz     ppm     Int.

    848.25   9.472    256
    663.31   7.407    155
    662.25   7.395    225
    660.25   7.373    128
    657.56   7.343    165
    656.00   7.325    318
    654.56   7.309    462
    653.81   7.301    423
    653.44   7.297    434
    647.50   7.230    630
    644.75   7.200    141
    633.31   7.072    859
    632.31   7.061    996
    629.13   7.025    297
    628.25   7.015    285
    626.13   6.992    581
    624.31   6.971    477
    620.50   6.929    132
    619.25   6.915    145
    618.00   6.901     78
    358.06   3.998    422
    354.56   3.959     69
    350.00   3.908    920
    346.69   3.872     61
    346.00   3.864     65
    342.13   3.821    551
    237.81   2.656    559
    235.06   2.625     68
    229.88   2.567   1000
    226.63   2.531     66
    224.88   2.511     72
    221.81   2.477    414

in CDCl3