57-96-5

(+/-)-Sulfinpyrazone (57-96-5) IR1

Molecular FormulaC23H20N2O3S

Molecular Weight404.48

InChIInChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2

InChIKey MBGGBVCUIVRRBF-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

IR1

IR2

(+/-)-Sulfinpyrazone (57-96-5) IR1
Mass

MS-IW-5118          
1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-3,5-pyrazolidinedione
C23H20N2O3S         (Mass of molecular ion:    404)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      27.0       2.0
      28.0       3.8
      37.0       1.1
      38.0       2.5
      39.0      10.2
      40.0       6.9
      41.0       4.1
      44.0       1.0
      45.0       3.4
      50.0       5.7
      51.0      22.6
      52.0       3.0
      53.0       3.9
      54.0       1.5
      55.0       2.2
      58.0       1.1
      62.0       1.3
      63.0       5.6
      64.0       7.6
      65.0      12.5
      66.0      10.5
      67.0       1.4
      68.0       5.5
      69.0       6.3
      74.0       2.3
      75.0       1.7
      76.0       3.4
      77.0     100.0
      78.0      44.7
      79.0       3.2
      81.0       1.1
      82.0       1.3
      83.0       1.2
      84.0       3.8
      90.0       1.2
      91.0      17.6
      92.0       3.4
      93.0      10.4
      94.0       1.3
      95.0       4.2
      97.0       3.3
     102.0       1.0
     103.0       3.9
     104.0       5.6
     105.0      31.5
     106.0       3.5
     108.0       2.0
     109.0      15.9
     110.0      28.8
     111.0       2.9
     112.0       1.6
     115.0       2.1
     116.0       1.6
     117.0       6.0
     118.0       4.2
     119.0      13.6
     120.0       2.1
     123.0       1.0
     125.0       9.6
     126.0      22.0
     127.0       2.4
     128.0       2.7
     129.0       2.0
     130.0      24.9
     131.0      15.8
     132.0       3.1
     134.0       1.1
     139.0       1.1
     143.0       1.7
     144.0       5.0
     145.0       1.1
     151.0       1.0
     152.0       4.5
     153.0       3.5
     154.0       3.7
     158.0       7.8
     159.0      11.5
     160.0       2.3
     167.0       2.7
     168.0       2.1
     181.0       2.3
     182.0       2.8
     183.0       9.9
     184.0       2.6
     185.0       1.8
     186.0       5.8
     187.0       1.6
     195.0       2.5
     209.0       2.2
     210.0       3.4
     211.0       2.2
     218.0       1.1
     221.0       1.4
     249.0       3.9
     250.0       1.0
     252.0       4.5
     263.0       2.0
     264.0       1.1
     265.0       1.6
     277.0       3.3
     278.0      78.0
     279.0      20.0
     280.0       2.8