S,S-DIMETHYL-N-(P-TOLUENESULFONYL)SULFOXIMINE(22236-45-9) IR2
Product NameS,S-DIMETHYL-N-(P-TOLUENESULFONYL)SULFOXIMINE
CAS22236-45-9
Molecular FormulaC9H13NO3S2
Molecular Weight247.33
InChIInChI=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
SmilesS(=O)(=O)(N=S(=O)(C)C)C1C=CC(C)=CC=1
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MassMS-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
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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
