ETHYL ISOPROPYL SULFONE(4853-75-2) IR1
Product NameETHYL ISOPROPYL SULFONE
CAS4853-75-2
Molecular FormulaC5H12O2S
Molecular Weight136.21
InChIInChI=1S/C5H12O2S/c1-4-8(6,7)5(2)3/h5H,4H2,1-3H3
InChIKey RDKKQZIFDSEMNU-UHFFFAOYSA-N
SmilesCC(S(CC)(=O)=O)C
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MassMS-IW-8156 ethyl isopropyl sulfone C5H12O2S (Mass of molecular ion: 136)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.2 26.0 2.2 27.0 25.7 28.0 3.6 29.0 14.0 38.0 1.4 39.0 11.8 40.0 2.5 41.0 53.6 42.0 17.8 43.0 100.0 44.0 5.1 48.0 3.0 57.0 1.7 59.0 1.1 63.0 1.0 64.0 3.7 65.0 1.1 66.0 31.7 67.0 1.3 68.0 1.6 76.0 1.5 77.0 3.1 78.0 1.0 94.0 24.3 95.0 32.8 96.0 2.1 97.0 1.5 107.0 1.2 137.0 4.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H12 O2 S 0.05 ml : 0.5 ml CDCl3 ethyl isopropyl sulfone 
Assign. Shift(ppm)
A 3.158 B 2.994 C 1.394 D 1.391
Hz ppm Int.1275.63 3.192 39 1268.80 3.175 95 1261.84 3.158 126 1255.00 3.141 97 1248.05 3.123 41 1208.13 3.023 110 1200.68 3.005 308 1197.39 2.997 24 1193.12 2.986 311 1185.67 2.967 115 574.46 1.438 23 570.31 1.428 32 564.58 1.413 405 559.33 1.400 1000 557.01 1.394 606 552.37 1.383 883 549.44 1.375 355
in CDCl3
liquid film
