Trimethylsulfonium iodide(2181-42-2) IR1
Product NameTrimethylsulfonium iodide
CAS2181-42-2
Molecular FormulaC3H9IS
Molecular Weight204.07
InChIInChI=1S/C3H9S.HI/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
InChIKey VFJYIHQDILEQNR-UHFFFAOYSA-M
Smiles[S+](C)(C)C.[I-]
-
MassMS-NW-6988 trimethylsulfonium iodide C3H9IS (Mass of molecular ion: 204)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
14.0 1.4 15.0 16.1 17.0 3.8 18.0 16.8 27.0 6.0 28.0 2.0 35.0 11.4 44.0 2.0 45.0 14.7 46.0 13.7 47.0 36.7 48.0 1.3 49.0 1.9 57.0 1.2 58.0 1.4 61.0 14.0 62.0 37.2 63.0 1.7 64.0 2.1 127.0 25.7 128.0 2.4 139.0 3.8 140.0 3.1 141.0 12.2 142.0 100.0 143.0 1.0
parameter in DMSO-d6
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1H NMR 300 MHz C3 H9 I S 0.041 g : 0.5 ml DMSO-d6 trimethylsulfonium iodide 
Parameter ppm Hz
D(A) 2.940
Hz ppm Int.882.00 2.940 1000
in DMSO-d6
KBr disc
nujol mull
