ETHYL ISOPROPYL SULFIDE(5145-99-3) MS
Product NameETHYL ISOPROPYL SULFIDE
CAS5145-99-3
Molecular FormulaC5H12S
Molecular Weight104.21
InChIInChI=1S/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H3
InChIKey NZUQQADVSXWVNW-UHFFFAOYSA-N
SmilesCC(SCC)C
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MassMS-NW-3852 ethyl isopropyl sulfide C5H12S (Mass of molecular ion: 104)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.3 18.0 1.4 26.0 2.9 27.0 34.5 28.0 6.5 29.0 18.9 34.0 2.9 35.0 10.7 37.0 1.0 38.0 1.5 39.0 13.8 40.0 2.1 41.0 41.9 42.0 10.3 43.0 69.5 44.0 2.3 45.0 9.0 46.0 12.6 47.0 31.4 48.0 1.3 49.0 1.7 55.0 6.3 57.0 1.3 58.0 4.4 59.0 10.5 60.0 5.7 61.0 51.6 62.0 67.3 63.0 16.1 64.0 3.5 74.0 1.2 75.0 11.0 76.0 2.4 89.0 100.0 90.0 5.6 91.0 5.1 103.0 1.0 104.0 72.5 105.0 4.9 106.0 3.6
parameter in CDCl3
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1H NMR 300 MHz C5 H12 S 0.04 ml : 0.5 ml CDCl3 ethyl isopropyl sulfide 
Parameter ppm Hz
D(A) 2.929 D(B) 1.264 J(A,B) 6.69 D(C) 2.547 D(D) 1.251 J(C,D) 7.38
Hz ppm Int.892.21 2.974 23 885.50 2.952 57 878.83 2.929 77 872.14 2.907 60 865.44 2.885 25 775.28 2.584 59 767.89 2.560 185 760.51 2.535 192 753.15 2.510 66 382.54 1.275 1000 375.82 1.253 905 367.87 1.226 187
in CDCl3
liquid film
