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Cyclohexyl mercaptan

Product Name Cyclohexyl mercaptan

CAS1569-69-3

MFC6H12S

MW116.22

¹³CNMR

Mass

MS-NW-3999          
cyclohexanethiol
C6H12S              (Mass of molecular ion:    116)

   Source Temperature: 300 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.4
      27.0      13.5
      28.0       3.7
      29.0       9.2
      32.0       1.0
      38.0       1.2
      39.0      17.8
      40.0       2.1
      41.0      54.3
      42.0       3.5
      43.0       4.8
      45.0      10.0
      46.0       1.4
      47.0       6.7
      50.0       1.7
      51.0       2.8
      52.0       1.2
      53.0       8.5
      54.0      29.2
      55.0     100.0
      56.0       5.6
      58.0       2.6
      59.0       4.2
      60.0       9.5
      61.0       3.2
      65.0       1.6
      66.0       1.3
      67.0      66.6
      68.0       4.6
      69.0       2.2
      71.0       1.6
      73.0       8.5
      74.0       1.8
      77.0       1.8
      79.0       3.5
      81.0      10.3
      82.0      57.1
      83.0      76.4
      84.0       5.5
      87.0       1.6
     116.0      42.0
     117.0       3.5
     118.0       2.2
     148.0       3.1
     230.0       1.3

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ S	0.04 ml : 0.5 ml CDCl₃
cyclohexanethiol

    Assign.     Shift(ppm)

      A             2.793
      B             2.01
      C             1.75
      D             1.61
      E             1.51
      F             1.34
      G             1.31
      J             1.22
     
     ASSIGNED BY COSY.

     Hz     ppm     Int.

   1129.15   2.826     47
   1125.49   2.817     60
   1122.68   2.810     80
   1118.90   2.800    110
   1115.23   2.791     92
   1112.18   2.783     97
   1108.40   2.774     89
   1104.74   2.765     46
   1101.81   2.757     39
    810.18   2.028    126
    808.84   2.024    141
    807.62   2.021    158
    806.52   2.019    176
    805.42   2.016    202
    804.69   2.014    206
    799.32   2.001    175
    798.22   1.998    153
    794.19   1.988    295
    719.48   1.801     32
    718.38   1.798     36
    717.41   1.796     37
    716.67   1.794     36
    715.58   1.791     40
    714.11   1.787     41
    713.13   1.785     41
    712.89   1.784     41
    707.28   1.770    141
    704.22   1.763    232
    703.74   1.761    231
    703.00   1.760    216
    701.78   1.756    198
    699.83   1.752    233
    695.56   1.741    176
    694.46   1.738    184
    691.77   1.731    181
    690.80   1.729    180
    689.33   1.725    150
    687.99   1.722    137
    684.08   1.712     48
    653.56   1.636     74
    652.34   1.633     97
    650.88   1.629    102
    649.54   1.626    109
    648.68   1.624    124
    647.34   1.620    105
    645.63   1.616     89
    644.29   1.613     87
    643.31   1.610     93
    641.85   1.607     85
    640.14   1.602     90
    639.16   1.600     95
    637.82   1.596    117
    636.47   1.593    110
    633.42   1.585     81
    632.20   1.582     63
    605.10   1.515   1000
    602.05   1.507     32
    598.51   1.498    953
    558.47   1.398     88
    556.15   1.392     73
    547.12   1.369    213
    544.56   1.363    201
    535.64   1.341    440
    527.71   1.321    251
    526.86   1.319    244
    524.90   1.314    442
    518.55   1.298     70
    515.75   1.291    165
    513.06   1.284    232
    510.38   1.278    155
    509.64   1.276    132
    506.59   1.268     42
    503.78   1.261     80
    500.98   1.254    139
    498.78   1.249    117
    498.05   1.247    121
    496.46   1.243     78
    495.12   1.239     65
    493.29   1.235     58
    488.40   1.223     91
    485.47   1.215     93
    482.79   1.209     70
    476.93   1.194     69
    473.88   1.186     69
    470.58   1.178     38

¹H NMR	89.56 MHz
C₆ H₁₂ S	0.04 ml : 0.5 ml CDCl₃
cyclohexanethiol

    Assign.     Shift(ppm)

      A             2.78
      B             1.98
      C             1.70
      D          1.70 to 1.03
      E             1.493

     Hz     ppm     Int.

    257.75   2.878     37
    257.63   2.877     37
    257.06   2.871     37
    256.50   2.865     37
    255.00   2.848     41
    254.00   2.837     51
    250.94   2.802     53
    249.56   2.787     52
    248.81   2.779     50
    247.13   2.760     54
    244.94   2.735     47
    244.38   2.729     47
    243.13   2.715     49
    241.81   2.700     36
    241.31   2.695     35
    240.31   2.684     36
    239.50   2.675     31
    187.88   2.098     61
    186.75   2.086     51
    183.56   2.050     96
    182.13   2.034     95
    177.63   1.984    157
    176.88   1.975    165
    174.69   1.951    125
    173.19   1.934    107
    172.06   1.922     99
    170.94   1.909     96
    165.81   1.852     72
    164.75   1.840     75
    162.94   1.820     91
    160.25   1.790    136
    159.38   1.780    144
    159.25   1.779    144
    158.31   1.768    149
    155.81   1.740    164
    153.94   1.719    133
    152.50   1.703    121
    151.13   1.688    116
    150.69   1.683    115
    150.00   1.675    117
    149.88   1.674    117
    148.88   1.663    114
    148.19   1.655    118
    147.38   1.646    117
    147.06   1.643    117
    146.69   1.638    118
    144.50   1.614    144
    142.19   1.588    109
    140.94   1.574    105
    140.06   1.564    102
    139.44   1.557    107
    138.81   1.550    108
    136.94   1.530   1000
    135.00   1.508    123
    134.25   1.499    114
    133.00   1.486    106
    132.44   1.479    113
    130.44   1.457    907
    127.81   1.428    235
    124.06   1.386    139
    118.06   1.319    365
    117.00   1.307    337
    112.88   1.261    204
    110.50   1.234    256
    109.69   1.225    276
    105.81   1.182     81
    104.56   1.168     63
    103.25   1.153     68
    100.31   1.121     34
     99.94   1.116     32

in CDCl3

liquid film

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