DIISOBUTYL SULFIDE(592-65-4) 1H NMR
Product NameDIISOBUTYL SULFIDE
CAS592-65-4
Molecular FormulaC8H18S
Molecular Weight146.29
InChIInChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey CMWSRWTXVQLHNX-UHFFFAOYSA-N
SmilesS(CC(C)C)CC(C)C
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MassMS-NW-3129 diisobutyl sulfide C8H18S (Mass of molecular ion: 146)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 7.4 29.0 19.2 39.0 8.0 41.0 27.6 42.0 1.9 43.0 8.1 45.0 3.9 46.0 2.7 47.0 8.0 48.0 1.8 49.0 1.0 53.0 1.3 55.0 12.3 56.0 46.5 57.0 100.0 58.0 4.5 59.0 1.3 60.0 1.1 61.0 15.9 62.0 1.2 69.0 4.5 75.0 4.1 88.0 1.6 89.0 4.5 90.0 7.6 91.0 4.2 103.0 43.3 104.0 3.3 105.0 2.1 117.0 5.3 131.0 1.7 146.0 30.5 147.0 2.9 148.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 S 0.05 ml : 0.5 ml CDCl3 diisobutyl sulfide 
Assign. Shift(ppm)
A 2.373 B 1.79 C 0.99
Hz ppm Int.216.75 2.421 237 216.31 2.416 294 209.75 2.343 433 173.06 1.933 24 166.75 1.862 44 160.44 1.792 35 159.88 1.786 50 153.50 1.714 47 152.69 1.705 36 147.25 1.645 25 146.38 1.635 29 94.06 1.051 30 91.25 1.019 1000 87.19 0.974 44 84.88 0.948 725
in CDCl3
liquid film
