5943-30-6

二仲丁基二硫醚(5943-30-6)質(zhì)譜(MS)

產(chǎn)品名稱:二仲丁基二硫醚

CAS:5943-30-6

分子式:C8H18S2

分子量: 178.36

InChI:InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey: QTWKINKGAHTPFJ-UHFFFAOYSA-N

Smiles:S(C(C)CC)SC(C)CC

Mass

MS-NW-5840          
di-sec-butyl disulfide
C8H18S2             (Mass of molecular ion:    178)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       6.1
      28.0       1.5
      29.0      22.4
      39.0       4.6
      41.0      24.5
      42.0       1.3
      45.0       1.7
      47.0       1.1
      53.0       1.2
      55.0       4.7
      56.0       6.4
      57.0     100.0
      58.0       4.2
      59.0       3.0
      60.0       1.0
      61.0       2.6
      66.0       1.4
      87.0       1.0
      88.0       1.4
      90.0       1.0
      93.0       1.3
     122.0      26.9
     123.0       1.8
     124.0       2.5
     178.0      17.9
     179.0       2.1
     180.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ S₂	0.04 ml : 0.5 ml CDCl₃
di-sec-butyl disulfide

    Assign.     Shift(ppm)

      A             2.728
      B             1.60
      C             1.289
      D             0.987

     Hz     ppm     Int.

    254.63   2.844     46
    248.00   2.770     84
    241.50   2.697     99
    234.88   2.623     62
    163.44   1.825     30
    156.88   1.752     32
    155.50   1.737     88
    154.81   1.729     41
    149.38   1.668     90
    147.81   1.651    125
    147.31   1.645     95
    141.63   1.582    124
    140.31   1.567    154
    134.75   1.505     72
    133.31   1.489    101
    126.94   1.418     48
    126.44   1.412     42
    118.69   1.326   1000
    116.50   1.301     35
    111.94   1.250    869
    109.75   1.226     34
     94.50   1.056    303
     92.25   1.031     64
     87.19   0.974    482
     80.81   0.903    100
     80.00   0.894    170
     78.81   0.880    102

in CDCl3