Dibutyl sulfide(544-40-1) IR1
Product NameDibutyl sulfide
CAS544-40-1
Molecular FormulaC8H18S
Molecular Weight146.29
InChIInChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey HTIRHQRTDBPHNZ-UHFFFAOYSA-N
SmilesS(CCCC)CCCC
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MassMS-NW-3535 dibutyl sulfide C8H18S (Mass of molecular ion: 146)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.1 26.0 1.3 27.0 17.1 28.0 3.8 29.0 38.1 35.0 1.1 39.0 8.0 40.0 1.4 41.0 40.0 42.0 2.5 43.0 4.3 45.0 5.0 46.0 4.0 47.0 12.3 48.0 1.9 49.0 1.6 53.0 1.6 54.0 1.3 55.0 23.0 56.0 100.0 57.0 33.7 58.0 1.4 59.0 2.0 60.0 3.8 61.0 94.8 62.0 3.5 63.0 4.3 75.0 6.1 88.0 2.0 89.0 12.5 90.0 25.5 91.0 11.3 92.0 1.6 103.0 13.1 104.0 1.3 117.0 7.5 146.0 37.5 147.0 3.9 148.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 S 0.04 ml : 0.5 ml CDCl3 dibutyl sulfide 
Assign. Shift(ppm)
A 2.50 B 1.55 C 1.41 D 0.92
Hz ppm Int.232.19 2.593 181 231.50 2.585 192 229.56 2.564 79 226.94 2.534 165 224.63 2.509 503 220.13 2.458 80 217.69 2.431 349 154.31 1.723 52 152.00 1.698 32 150.38 1.680 49 148.25 1.656 124 146.06 1.631 133 142.13 1.587 162 141.19 1.577 176 140.06 1.564 178 138.88 1.551 270 135.50 1.513 333 134.06 1.497 329 131.50 1.469 376 128.88 1.440 269 127.38 1.423 220 126.44 1.412 113 124.81 1.394 130 124.31 1.389 120 123.25 1.377 118 122.38 1.367 124 121.69 1.359 121 121.06 1.352 122 120.94 1.351 122 119.44 1.334 65 118.00 1.318 73 115.44 1.289 133 113.50 1.268 60 113.06 1.263 59 108.75 1.215 89 93.94 1.049 30 93.38 1.043 32 91.38 1.021 33 88.69 0.991 412 87.94 0.982 358 85.50 0.955 118 84.00 0.938 121 82.06 0.917 1000 79.63 0.890 281 76.88 0.859 100 75.81 0.847 148 74.63 0.834 182 72.94 0.815 109
in CDCl3
liquid film
