DI-N-OCTYL SULFIDE(2690-08-6) IR1
Product NameDI-N-OCTYL SULFIDE
CAS2690-08-6
Molecular FormulaC16H34S
Molecular Weight258.51
InChIInChI=1S/C16H34S/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey LOXRGHGHQYWXJK-UHFFFAOYSA-N
SmilesS(CCCCCCCC)CCCCCCCC
-
MassMS-NW-2737 dioctyl sulfide C16H34S (Mass of molecular ion: 258)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 6.2 28.0 5.1 29.0 14.9 32.0 1.3 39.0 3.7 41.0 28.1 42.0 7.6 43.0 34.4 44.0 1.1 45.0 1.7 46.0 1.1 47.0 3.3 53.0 1.5 54.0 2.0 55.0 31.8 56.0 21.8 57.0 26.0 58.0 1.3 60.0 4.5 61.0 19.6 62.0 1.0 63.0 1.0 67.0 3.3 68.0 7.4 69.0 49.5 70.0 25.9 71.0 14.9 75.0 1.8 81.0 1.5 82.0 7.2 83.0 20.7 84.0 19.3 85.0 1.8 87.0 5.6 88.0 1.0 89.0 4.4 97.0 2.5 101.0 2.6 103.0 1.3 111.0 2.5 112.0 28.6 113.0 2.7 144.0 3.8 145.0 100.0 146.0 14.1 147.0 7.1 159.0 11.0 160.0 1.5 173.0 2.8 201.0 3.4 229.0 1.1 257.0 2.4 258.0 21.1 259.0 4.1 260.0 1.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C16 H34 S 0.04 ml : 0.5 ml CDCl3 dioctyl sulfide 
Assign. Shift(ppm)
A 2.49 B 1.57 C 1.50 to 1.07 D 0.89
Hz ppm Int.231.19 2.582 91 230.50 2.574 92 223.88 2.500 223 216.56 2.419 193 148.25 1.656 54 147.81 1.651 55 146.81 1.640 52 146.50 1.636 52 146.00 1.631 50 141.19 1.577 122 140.06 1.564 92 137.13 1.532 78 136.31 1.522 79 134.50 1.502 98 132.94 1.485 91 131.50 1.469 95 131.06 1.464 97 128.81 1.439 105 114.31 1.277 1000 103.56 1.157 39 103.00 1.151 38 101.94 1.139 34 84.19 0.941 138 81.25 0.908 114 78.88 0.881 464 74.44 0.832 64 72.88 0.814 90
in CDCl3
liquid film
