625-80-9

2,2'-Thiobispropane(625-80-9) MS

Product Name2,2'-Thiobispropane

CAS 625-80-9

Molecular FormulaC6H14S

Molecular Weight118.24

InChIInChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3

InChIKey XYWDPYKBIRQXQS-UHFFFAOYSA-N

SmilesS(C(C)C)C(C)C

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2,2'-Thiobispropane(625-80-9) MS
Mass

MS-NW-3309          
diisopropyl sulfide
C6H14S              (Mass of molecular ion:    118)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.4
      27.0      14.6
      35.0       1.1
      38.0       1.2
      39.0      11.6
      40.0       1.6
      41.0      33.3
      42.0      12.1
      43.0     100.0
      44.0       3.4
      45.0       4.4
      47.0       5.5
      49.0       1.0
      58.0       2.4
      59.0       8.9
      60.0       7.3
      61.0      89.3
      62.0       3.0
      63.0       4.1
      74.0       3.0
      75.0      11.4
      76.0      22.8
      77.0       4.2
      78.0       1.3
     103.0      51.4
     104.0       3.4
     105.0       2.3
     118.0      41.6
     119.0       3.1
     120.0       2.1

90 MHz in CDCl3

2,2'-Thiobispropane(625-80-9) MS

¹H NMR	89.56 MHz
C₆ H₁₄ S	0.04 ml : 0.5 ml CDCl₃
diisopropyl sulfide

    Assign.     Shift(ppm)

      A             2.983
      B             1.258

     Hz     ppm     Int.

    280.75   3.135     24
    273.94   3.059     54
    267.25   2.985     72
    260.56   2.910     62
    254.00   2.837     31
    115.94   1.295   1000
    113.69   1.270     40
    111.44   1.245     21
    109.25   1.220    889
    107.06   1.196     38

in CDCl3