ISOPROPYL METHYL SULFONE(4853-74-1) 13C NMR
Product NameISOPROPYL METHYL SULFONE
CAS4853-74-1
Molecular FormulaC4H10O2S
Molecular Weight122.19
InChIInChI=1S/C4H10O2S/c1-4(2)7(3,5)6/h4H,1-3H3
InChIKey VTWYQAQIXXAXOR-UHFFFAOYSA-N
SmilesCC(S(C)(=O)=O)C
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MassMS-IW-8099 isopropyl methyl sulfone C4H10O2S (Mass of molecular ion: 122)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 4.5 27.0 27.9 28.0 1.6 31.0 1.2 38.0 1.3 39.0 13.0 40.0 2.0 41.0 77.3 42.0 8.9 43.0 100.0 44.0 5.4 45.0 1.2 48.0 1.2 63.0 10.5 64.0 1.9 65.0 10.5 79.0 2.8 80.0 19.4 81.0 52.3 82.0 2.0 83.0 2.6 107.0 1.9 123.0 8.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H10 O2 S 0.05 ml : 0.5 ml CDCl3 isopropyl methyl sulfone 
Assign. Shift(ppm)
A 3.131 B 2.854 C 1.407
Hz ppm Int.1265.38 3.167 33 1258.54 3.150 80 1251.59 3.132 106 1244.75 3.115 82 1237.79 3.098 35 1140.63 2.855 896 565.80 1.416 1000 558.84 1.399 933
in CDCl3
liquid film
