Phenylbutazone(50-33-9) IR2

Product NamePhenylbutazone

CAS 50-33-9

Molecular FormulaC19H20N2O2

Molecular Weight308.37

InChIInChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

InChIKey VYMDGNCVAMGZFE-UHFFFAOYSA-N

SmilesN1(C2=CC=CC=C2)C(=O)C(CCCC)C(=O)N1C1=CC=CC=C1

Request For Quotation

Mass

MS-NW-8538          
4-butyl-1,2-diphenyl-3,5-pyrazolidinedione
C19H20N2O2          (Mass of molecular ion:    308)

   Source Temperature: 200 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.2
      27.0       4.5
      28.0       1.9
      29.0       3.5
      39.0       3.7
      41.0       6.8
      42.0       2.5
      50.0       1.0
      51.0       8.1
      52.0       1.1
      55.0       9.0
      57.0       4.4
      63.0       1.5
      64.0       4.7
      65.0       3.6
      69.0       2.6
      76.0       1.2
      77.0      75.2
      78.0       5.8
      81.0       1.1
      91.0       8.1
      92.0       2.1
      93.0      13.1
      94.0       1.6
     104.0       2.5
     105.0      16.5
     106.0       1.6
     118.0       1.6
     119.0       4.8
     120.0       1.0
     125.0       3.9
     132.0       1.1
     146.0       1.6
     152.0       3.0
     153.0       2.2
     154.0       1.1
     160.0       2.0
     174.0       1.8
     182.0       3.4
     183.0     100.0
     184.0      38.3
     185.0       4.4
     211.0       1.1
     251.0       1.3
     252.0      15.1
     253.0       2.9
     265.0       2.5
     308.0      63.5
     309.0      13.9
     310.0       1.7

400 MHz in CDCl3

in CDCl3

¹H NMR	399.65 MHz
C₁₉ H₂₀ N₂ O₂	0.040 g : 0.5 ml CDCl₃
4-butyl-1,2-diphenyl-3,5-pyrazolidinedione

    Assign.     Shift(ppm)

      A          7.33 to 7.300
      B             7.176
      C             3.389
      D             2.083
      E             1.487
      F             1.368
      G             0.900

     Hz     ppm     Int.

   2934.33   7.343     52
   2933.11   7.340     51
   2929.57   7.331     79
   2928.47   7.328     80
   2924.44   7.318   1000
   2920.78   7.309    558
   2919.92   7.307    511
   2913.70   7.291     31
   2910.77   7.284     33
   2910.28   7.283     33
   2874.76   7.194     69
   2871.58   7.186     80
   2871.09   7.185     79
   2869.75   7.181     78
   2867.43   7.175     69
   2866.09   7.172    107
   2864.62   7.168     48
   2862.55   7.163     68
   2861.57   7.161     52
   2860.84   7.159     45
   2857.54   7.151     35
   1360.35   3.404     56
   1354.61   3.390    119
   1348.88   3.376     56
    843.02   2.110     48
    837.28   2.096     70
    835.21   2.090     47
    831.67   2.081     45
    831.30   2.081     45
    829.59   2.076     47
    826.90   2.070     68
    821.04   2.055     51
    602.78   1.509     43
    600.22   1.502     35
    597.53   1.496     38
    594.12   1.487     57
    589.97   1.477     41
    586.79   1.469     53
    583.98   1.462     32
    556.15   1.392     57
    548.83   1.374     79
    541.26   1.355     71
    533.94   1.337     41
    366.82   0.918    183
    359.50   0.900    352
    352.29   0.882    154