Trimethylsulfonium bromide(3084-53-5) IR1
Product NameTrimethylsulfonium bromide
CAS3084-53-5
Molecular FormulaC3H9S.Br
Molecular Weight157.07
InChIInChI=1S/C3H9S.BrH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
InChIKey GOTIICCWNAPLMN-UHFFFAOYSA-M
Smiles[S+](C)(C)C.[Br-]
-
MassMS-KW-0545 trimethylsulfonium bromide C3H9BrS (Mass of molecular ion: 156)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
13.0 1.3 14.0 3.5 15.0 59.3 18.0 1.4 27.0 17.8 28.0 1.9 34.0 1.3 35.0 33.8 37.0 1.5 44.0 3.6 45.0 36.5 46.0 38.3 47.0 96.2 48.0 4.5 49.0 4.2 57.0 2.5 58.0 3.3 59.0 3.1 61.0 36.6 62.0 100.0 63.0 5.0 64.0 4.7 79.0 4.6 80.0 1.5 81.0 4.6 82.0 1.5 91.0 6.2 92.0 3.5 93.0 18.6 94.0 97.8 95.0 13.3 96.0 92.0 97.0 1.0
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C3H9BrS 0.038 g : 0.5 ml DMSO-d6 trimethylsulfonium bromide 
Assign. Shift(ppm)
A 2.991
Hz ppm Int.3524.17 8.816 1 1266.61 3.169 5 1195.56 2.991 1000 1122.08 2.807 5 820.81 2.054 2
DMSO-d6
KBr disk
Nujol
