Butyl disulfide(629-45-8) 13C NMR
Product NameButyl disulfide
CAS629-45-8
Molecular FormulaC8H18S2
Molecular Weight178.36
InChIInChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
InChIKey CUDSBWGCGSUXDB-UHFFFAOYSA-N
SmilesS(CCCC)SCCCC
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MassMS-NW-2125 dibutyl disulfide C8H18S2 (Mass of molecular ion: 178)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 8.6 28.0 1.4 29.0 32.4 39.0 4.3 41.0 31.9 42.0 1.5 43.0 2.3 45.0 3.5 46.0 1.9 47.0 4.8 53.0 1.1 54.0 1.2 55.0 7.1 56.0 5.7 57.0 100.0 58.0 4.4 59.0 1.3 60.0 1.8 61.0 1.5 66.0 1.7 79.0 3.0 87.0 4.5 88.0 3.3 89.0 2.2 122.0 33.7 123.0 2.1 124.0 3.0 178.0 33.6 179.0 3.6 180.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 S2 0.04 ml : 0.5 ml CDCl3 dibutyl disulfide 
Assign. Shift(ppm)
A 2.69 B 1.64 C 1.42 D 0.93
Hz ppm Int.248.25 2.772 243 241.25 2.694 471 237.94 2.657 43 234.25 2.616 434 164.81 1.841 36 163.25 1.823 55 157.06 1.754 134 154.63 1.727 122 153.31 1.712 58 150.69 1.683 178 149.06 1.665 213 147.38 1.646 135 146.81 1.640 140 144.13 1.610 169 142.69 1.594 268 140.06 1.564 163 138.56 1.548 121 136.63 1.526 251 132.69 1.482 114 132.19 1.476 121 130.69 1.460 199 129.94 1.451 161 128.88 1.440 167 127.19 1.421 74 125.13 1.398 135 123.19 1.376 136 122.44 1.368 164 120.63 1.347 81 119.69 1.337 79 119.06 1.330 78 115.75 1.293 141 114.56 1.280 87 112.94 1.262 33 109.25 1.220 67 92.81 1.037 31 89.38 0.998 468 86.06 0.961 75 84.94 0.949 74 82.94 0.927 1000 81.63 0.912 370 78.44 0.876 86 76.75 0.857 194 75.56 0.844 222 73.75 0.824 121
in CDCl3
liquid film
