DI-TERT-OCTYL DISULFIDE(29956-99-8) IR1
Product NameDI-TERT-OCTYL DISULFIDE
CAS29956-99-8
Molecular FormulaC16H34S2
Molecular Weight290.57
InChIInChI=1S/C16H34S2/c1-13(2,3)11-15(7,8)17-18-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
InChIKey ZIMCZOLRXKPXLN-UHFFFAOYSA-N
SmilesS(C(C)(C)CC(C)(C)C)SC(C)(C)CC(C)(C)C
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MassMS-NW-5427 bis(1,1,3,3-tetramethylbutyl) disulfide C16H34S2 (Mass of molecular ion: 290)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.6 29.0 7.7 34.0 1.4 39.0 3.4 41.0 15.2 43.0 5.5 53.0 1.1 55.0 11.1 56.0 4.8 57.0 100.0 58.0 4.7 64.0 1.4 69.0 3.1 71.0 1.8 75.0 1.4 97.0 5.6 107.0 2.0 112.0 2.7 113.0 13.6 114.0 1.3
parameter in CDCl3
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1H NMR 300 MHz C16 H34 S2 0.04 ml : 0.5 ml CDCl3 bis(1,1,3,3-tetramethylbutyl) disulfide 
Parameter ppm Hz
D(A) 1.662 D(B) 1.382 D(C) 1.031
Hz ppm Int.498.60 1.662 222 414.60 1.382 667 309.30 1.031 1000
in CDCl3
liquid film
