Trimethylsulfoxonium iodide(1774-47-6) MS
Product NameTrimethylsulfoxonium iodide
CAS1774-47-6
Molecular FormulaC3H9IOS
Molecular Weight220.07
InChIInChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
InChIKey BPLKQGGAXWRFOE-UHFFFAOYSA-M
Smiles[S+](=O)(C)(C)C.[I-]
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MassMS-NW-6790 trimethylsulfoxonium iodide C3H9IOS (Mass of molecular ion: 220)
Source Temperature: 180 °C Sample Temperature: 240 °C Direct, 75 eV
14.0 1.5 15.0 23.6 17.0 2.2 18.0 10.8 27.0 2.8 28.0 8.7 29.0 2.3 31.0 2.3 34.0 1.5 35.0 2.9 44.0 1.3 45.0 7.3 46.0 4.0 47.0 5.8 48.0 2.2 61.0 6.5 62.0 4.8 63.0 42.6 64.0 1.4 65.0 2.0 78.0 38.6 79.0 1.3 80.0 2.0 127.0 25.0 128.0 2.7 139.0 3.9 140.0 3.4 141.0 12.6 142.0 100.0 143.0 1.4
parameter in DMSO-d6
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1H NMR 300 MHz C3 H9 I O S 0.039 g : 0.5 ml DMSO-d6 trimethylsulfoxonium iodide 
Parameter ppm Hz
D(A) 3.904
Hz ppm Int.1171.20 3.904 1000
in DMSO-d6
KBr disc
nujol mull
