ETHYL (METHYLTHIO)ACETATE(4455-13-4) MS
Product NameETHYL (METHYLTHIO)ACETATE
CAS4455-13-4
Molecular FormulaC5H10O2S
Molecular Weight134.2
InChIInChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
InChIKey MDIAKIHKBBNYHF-UHFFFAOYSA-N
SmilesC(OCC)(=O)CSC
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MassMS-NW-8596 ethyl (methylthio)acetate C5H10O2S (Mass of molecular ion: 134)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 1.4 27.0 10.4 28.0 1.3 29.0 18.0 31.0 1.3 35.0 7.7 42.0 5.9 43.0 3.1 45.0 10.1 46.0 6.4 47.0 5.5 48.0 1.8 59.0 1.9 60.0 7.7 61.0 100.0 62.0 4.0 63.0 4.8 70.0 4.0 75.0 1.3 77.0 1.4 88.0 28.9 89.0 4.0 134.0 36.9 135.0 2.4 136.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O2 S 0.05 ml : 0.5 ml CDCl3 ethyl (methylthio)acetate 
Assign. Shift(ppm)
A 4.196 B 3.190 C 2.214 D 1.295
Hz ppm Int.386.81 4.320 71 379.63 4.239 221 372.50 4.160 231 365.44 4.081 82 285.75 3.191 623 198.31 2.215 1000 122.88 1.373 265 115.81 1.294 525 108.63 1.213 232
in CDCl3
liquid film
