3-METHYLTHIO-2-BUTANONE(53475-15-3) IR1
Product Name3-METHYLTHIO-2-BUTANONE
CAS53475-15-3
Molecular FormulaC5H10OS
Molecular Weight118.2
InChIInChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3
InChIKey HFVLNCDRAMUMCC-UHFFFAOYSA-N
SmilesCC(=O)C(SC)C
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MassMS-IW-5087 3-methylthio-2-butanone C5H10OS (Mass of molecular ion: 118)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.2 27.0 4.7 28.0 1.4 29.0 2.1 39.0 1.6 41.0 28.8 42.0 2.4 43.0 25.2 44.0 1.0 45.0 6.3 46.0 2.5 47.0 26.9 48.0 3.3 49.0 7.8 53.0 1.1 55.0 4.0 57.0 1.5 58.0 1.4 59.0 6.4 60.0 2.1 61.0 3.0 70.0 1.5 71.0 1.0 72.0 1.3 74.0 3.9 75.0 100.0 76.0 5.3 77.0 5.5 118.0 34.4 119.0 2.3 120.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 O S 0.05 ml : 0.5 ml CDCl3 3-methylthio-2-butanone 
Assign. Shift(ppm)
A 3.338 B 2.289 C 1.960 D 1.370
Hz ppm Int.1344.85 3.366 48 1337.89 3.348 140 1330.81 3.330 141 1323.85 3.313 50 914.92 2.290 875 783.33 1.961 1000 551.03 1.379 650 544.07 1.362 622
in CDCl3
liquid film
