METHYL N-OCTYL SULFIDE(3698-95-1) 1H NMR
Product NameMETHYL N-OCTYL SULFIDE
CAS3698-95-1
Molecular FormulaC9H20S
Molecular Weight160.32
InChIInChI=1S/C9H20S/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3
InChIKey AHCJTMBRROLNHV-UHFFFAOYSA-N
SmilesC(SC)CCCCCCC
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MassMS-NW-4894 methyl octyl sulfide C9H20S (Mass of molecular ion: 160)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.7 18.0 2.6 26.0 1.4 27.0 26.5 28.0 3.5 29.0 34.3 35.0 5.2 39.0 15.5 40.0 2.7 41.0 72.8 42.0 42.0 43.0 80.0 44.0 2.7 45.0 6.9 46.0 5.3 47.0 12.3 48.0 38.3 49.0 16.5 50.0 2.2 51.0 1.5 53.0 4.7 54.0 5.5 55.0 76.3 56.0 85.0 57.0 54.1 58.0 2.6 59.0 2.7 60.0 2.6 61.0 100.0 62.0 15.2 63.0 5.5 67.0 5.8 68.0 15.0 69.0 70.1 70.0 71.2 71.0 28.8 72.0 1.6 73.0 1.2 74.0 1.6 75.0 16.1 76.0 5.2 77.0 1.2 81.0 1.8 82.0 9.4 83.0 42.1 84.0 43.0 85.0 7.7 87.0 2.2 89.0 5.2 97.0 5.5 98.0 1.2 103.0 12.8 104.0 1.0 111.0 1.9 112.0 14.9 113.0 2.3 117.0 2.4 131.0 2.5 135.0 4.2 137.0 4.1 145.0 56.4 146.0 6.6 147.0 3.4 159.0 6.2 160.0 62.8 161.0 7.2 162.0 3.4 258.0 2.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H20 S 0.04 ml : 0.5 ml CDCl3 methyl octyl sulfide 
Assign. Shift(ppm)
A 2.48 B 2.091 C 1.59 D 1.42 E 1.28 F 0.89
Hz ppm Int.223.00 2.490 57 215.63 2.408 48 187.25 2.091 1000 129.00 1.441 32 128.69 1.437 32 127.69 1.426 33 125.94 1.407 36 125.13 1.398 36 124.56 1.391 36 124.44 1.390 36 114.63 1.280 267 84.19 0.941 39 82.38 0.920 33 81.75 0.913 33 81.31 0.908 33 79.06 0.883 130
in CDCl3
liquid film
