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DI-SEC-BUTYL SULFIDE

Product Name DI-SEC-BUTYL SULFIDE

CAS626-26-6

MFC8H18S

MW146.29

¹³CNMR

Mass

MS-NW-5841          
di-sec-butyl sulfide
C8H18S              (Mass of molecular ion:    146)

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

      27.0      10.7
      28.0       1.5
      29.0      29.9
      35.0       1.4
      39.0       7.3
      41.0      33.6
      42.0       1.6
      45.0       3.4
      47.0       4.4
      53.0       1.8
      55.0      12.0
      56.0      23.6
      57.0      62.2
      58.0       3.0
      59.0       5.2
      60.0       8.4
      61.0     100.0
      62.0       3.5
      63.0       4.6
      75.0      12.9
      88.0       1.0
      89.0       4.7
      90.0       4.1
      91.0       4.9
     117.0      55.4
     118.0       4.8
     119.0       2.9
     131.0       3.6
     146.0      32.8
     147.0       3.1
     148.0       1.9

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₈ S	0.05 ml : 0.5 ml CDCl₃
di-sec-butyl sulfide

    Assign.     Shift(ppm)

      A             2.737
      A             2.732
      B     *1      1.59
      C     *1      1.50
      D             1.253
      D             1.250
      E             0.981
      E             0.976
     
     mixture of diastereomers

     Hz     ppm     Int.

   1103.88   2.763     85
   1102.17   2.758     87
   1097.05   2.746    145
   1095.46   2.742    154
   1091.06   2.731    141
   1090.33   2.729    126
   1089.11   2.726    160
   1084.23   2.713     91
   1082.40   2.709     95
    649.66   1.626     74
    648.19   1.622     67
    646.61   1.618     86
    645.39   1.615     62
    641.85   1.607    116
    640.38   1.603     64
    639.04   1.599    137
    635.86   1.592    102
    634.40   1.588    113
    632.81   1.584    108
    631.59   1.581    118
    628.42   1.573     98
    625.37   1.565    101
    614.99   1.539    102
    609.13   1.525    117
    608.03   1.522    149
    602.17   1.507    162
    601.81   1.506    159
    600.71   1.504    138
    594.85   1.489    148
    593.75   1.486     98
    588.38   1.473     91
    588.01   1.472     92
    586.91   1.469     71
    581.05   1.454     65
    504.27   1.262   1000
    502.81   1.259    919
    500.37   1.253     88
    497.44   1.245    949
    496.09   1.242    919
    399.29   1.000    513
    397.34   0.995    489
    391.85   0.981    864
    390.01   0.976    832
    384.40   0.962    440
    382.57   0.958    440

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

    Assign.     Shift(ppm)

      A             2.727
      B             1.55
      C             1.253
      D             0.98
     
     J(A,C)=6.8HZ.

     Hz     ppm     Int.

    255.00   2.848     58
    248.38   2.774    110
    241.88   2.701    117
    235.56   2.631     74
    155.56   1.737     38
    149.00   1.664     46
    147.38   1.646    107
    144.94   1.619     94
    144.06   1.609     71
    143.44   1.602     41
    141.50   1.580    109
    139.63   1.560    144
    138.00   1.541    142
    137.13   1.532    119
    135.94   1.518     46
    133.50   1.491     96
    132.50   1.480    103
    131.63   1.470     96
    131.19   1.465    105
    130.31   1.456     82
    126.63   1.414     57
    125.00   1.396     47
    124.13   1.386     46
    117.44   1.312     32
    115.56   1.291   1000
    110.81   1.238     32
    108.75   1.215    944
     94.13   1.052    341
     87.19   0.974    553
     79.81   0.892    178
     78.69   0.879     94

in CDCl3

liquid film

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