DI-TERT-OCTYL DISULFIDE(29956-99-8) MS

Product NameDI-TERT-OCTYL DISULFIDE

CAS 29956-99-8

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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¹HNMR

¹³CNMR

IR1

Mass

MS-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

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

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