Propyl disulfide(629-19-6) MS
Product NamePropyl disulfide
CAS629-19-6
Molecular FormulaC6H14S2
Molecular Weight150.31
InChIInChI=1S/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChIKey ALVPFGSHPUPROW-UHFFFAOYSA-N
SmilesS(CCC)SCCC
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MassMS-NW-1258 dipropyl disulfide C6H14S2 (Mass of molecular ion: 150)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 13.3 28.0 1.6 29.0 2.3 39.0 5.9 41.0 22.6 42.0 1.9 43.0 100.0 44.0 3.4 45.0 4.4 46.0 2.2 47.0 3.5 66.0 7.4 73.0 3.4 74.0 4.0 75.0 1.4 79.0 2.3 108.0 23.9 109.0 1.2 110.0 2.0 150.0 33.7 151.0 2.8 152.0 3.1
90 MHz in CDCl3
parameter in CCl4
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1H NMR 89.56 MHz C6 H14 S2 0.04 ml : 0.5 ml CDCl3 dipropyl disulfide 
Assign. Shift(ppm)
A 2.66 B 1.70 C 1.00
Hz ppm Int.246.50 2.753 291 245.88 2.746 270 239.38 2.673 628 238.19 2.660 283 232.13 2.592 431 171.75 1.918 39 171.38 1.914 37 164.81 1.841 83 163.88 1.830 186 157.69 1.761 162 156.94 1.753 209 156.25 1.745 237 150.19 1.677 220 149.06 1.665 295 144.19 1.610 64 142.19 1.588 192 135.75 1.516 52 135.19 1.510 49 95.94 1.072 561 92.00 1.028 30 89.06 0.995 1000 82.19 0.918 204 81.44 0.910 337 80.50 0.899 185
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1H NMR 300 MHz C6 H14 S2 in CCl4 dipropyl disulfide Parameter ppm Hz
D(A) 2.63 D(B) 1.71 D(C) 1.03 J(A,B) 7.2 J(A,C) 0.0 J(B,C) 7.5 CAVANAUGH,J.R. & DAILEY,B.P. J.CHEM.PHYS. 34, 1094 (1961)
Hz ppm Int.796.28 2.654 338 789.09 2.630 712 781.91 2.606 376 531.55 1.772 43 524.06 1.747 173 516.75 1.722 344 509.38 1.698 346 502.05 1.673 192 494.70 1.649 47 316.34 1.054 511 308.88 1.030 1000 301.39 1.005 431
in CDCl3
CCl4 solution
liquid film
