22236-45-9

S,S-二甲基-N-(对甲苯磺酰基)磺基肟(22236-45-9)质谱(MS)

产品名称:S,S-二甲基-N-(对甲苯磺酰基)磺基肟

CAS:22236-45-9

分子式:C9H13NO3S2

分子量: 247.33

InChI:InChI=1S/C9H13NO3S2/c1-8-4-6-9(7-5-8)15(12,13)10-14(2,3)11/h4-7H,1-3H3

InChIKey: IRNAWARRPQUZDU-UHFFFAOYSA-N

Smiles:S(=O)(=O)(N=S(=O)(C)C)C1C=CC(C)=CC=1

¹HNMR

IR1

IR2

Mass

MS-NW-7252          
S,S-dimethyl-N-(p-tolylsulfonyl)sulfoximide
C9H13NO3S2          (Mass of molecular ion:    247)

   Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.3
      17.0       1.4
      18.0       6.1
      27.0       1.9
      28.0       1.8
      29.0       2.4
      38.0       1.0
      39.0      10.2
      41.0       3.3
      45.0       2.0
      46.0       3.1
      47.0       2.0
      50.0       2.4
      51.0       5.2
      52.0       2.4
      53.0       1.3
      61.0       3.2
      62.0       5.3
      63.0      11.9
      64.0       2.6
      65.0      23.1
      66.0       1.8
      76.0       1.5
      77.0       5.4
      78.0      18.7
      79.0       8.3
      80.0       1.2
      89.0       6.5
      90.0       3.2
      91.0      85.1
      92.0       7.6
     104.0       2.7
     105.0      17.4
     106.0       2.6
     107.0       1.6
     120.0       5.6
     121.0       2.2
     139.0       1.7
     140.0     100.0
     141.0       4.3
     142.0       9.3
     155.0      23.4
     156.0       5.5
     157.0       1.5
     168.0       3.9
     183.0      11.3
     184.0       1.4
     232.0       1.9
     247.0      51.5
     248.0       6.5
     249.0       5.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₃ N O₃ S₂	0.039 g : 0.5 ml DMSO-d₆
S,S-dimethyl-N-(p-tolylsulfonyl)sulfoximide

    Assign.     Shift(ppm)

      A             7.725
      B             7.343
      C             3.444
      C             2.366

     Hz     ppm     Int.

   3091.92   7.737    134
   3083.62   7.716    146
   2938.72   7.354    124
   2930.66   7.334    111
   1376.71   3.445   1000
    945.68   2.367    405

KBr disc

nujol mull