Butyl disulfide(629-45-8) MS

Product NameButyl disulfide

CAS 629-45-8

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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Butyl disulfide(629-45-8) MS
Mass

MS-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

Butyl disulfide(629-45-8) MS

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