METHYLSULFONYLACETONITRILE(2274-42-2) 13C NMR
Product NameMETHYLSULFONYLACETONITRILE
CAS2274-42-2
Molecular FormulaC3H5NO2S
Molecular Weight119.14
InChIInChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3
InChIKey FOTRKCAZUSJCQD-UHFFFAOYSA-N
SmilesC(#N)CS(C)(=O)=O
-
MassMS-NW-5118 mesylacetonitrile C3H5NO2S (Mass of molecular ion: 119)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
13.0 1.2 14.0 1.8 15.0 70.6 18.0 1.4 26.0 1.5 27.0 2.3 28.0 5.8 29.0 2.8 31.0 1.9 32.0 1.0 33.0 1.2 38.0 1.9 39.0 2.7 40.0 20.1 41.0 13.6 44.0 1.3 45.0 3.9 46.0 1.4 48.0 6.2 49.0 1.2 54.0 14.5 55.0 16.1 63.0 2.9 64.0 3.1 65.0 1.5 78.0 100.0 79.0 2.3 80.0 5.3 104.0 2.1
in D2O
KBr disc
nujol mull
