2-PHENYL-1,3-DITHIANE(5425-44-5) ¹³C NMR

Product Name2-PHENYL-1,3-DITHIANE

CAS 5425-44-5

Molecular FormulaC10H12S2

Molecular Weight196.33

Request For Quotation

Mass

MS-NW-7986          
2-phenyl-1,3-dithiane
C10H12S2            (Mass of molecular ion:    196)

   Source Temperature: 120 °C
   Sample Temperature:  80 °C
   Direct, 75 eV

      18.0       1.6
      27.0       2.1
      39.0       7.1
      41.0       6.5
      42.0       1.2
      44.0       1.1
      45.0      26.2
      46.0       9.4
      47.0       2.7
      50.0       1.7
      51.0       6.9
      52.0       1.4
      59.0       1.0
      62.0       1.2
      63.0       4.1
      64.0       1.0
      65.0       1.7
      69.0       2.5
      71.0       1.4
      73.0      10.6
      74.0      17.0
      75.0       2.8
      76.0       1.1
      77.0      14.3
      78.0      10.8
      79.0       1.4
      89.0       4.0
      90.0       1.0
      91.0      15.2
      92.0       1.3
      98.0       1.2
     103.0       1.1
     104.0       1.4
     105.0      26.1
     106.0       2.0
     107.0       2.4
     115.0       4.5
     116.0       4.4
     117.0      10.6
     118.0       1.4
     119.0       2.1
     121.0      61.5
     122.0      79.6
     123.0      14.7
     124.0       4.2
     129.0       2.8
     130.0       1.7
     131.0      34.8
     132.0       4.3
     134.0       2.3
     135.0      10.2
     136.0       2.7
     149.0       6.5
     153.0       8.0
     154.0       1.7
     155.0       1.0
     163.0       2.1
     195.0       1.3
     196.0     100.0
     197.0      12.8
     198.0       9.4
     199.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₂ S₂	0.045 g : 0.5 ml CDCl₃
2-phenyl-1,3-dithiane

    Assign.     Shift(ppm)

      A             7.466
      B             7.331
      C             7.292
      D             5.161
      E             3.035
      F             2.891
      G             2.140
      J             1.916

     Hz     ppm     Int.

   2989.26   7.480    408
   2987.30   7.475    577
   2985.47   7.471    177
   2982.30   7.463    331
   2980.59   7.459    685
   2979.61   7.456    645
   2977.05   7.450     89
   2939.21   7.355    205
   2937.38   7.350    273
   2935.55   7.346    132
   2932.98   7.339    130
   2932.62   7.338    129
   2930.54   7.333    844
   2929.08   7.330    320
   2924.68   7.319    279
   2923.34   7.315    578
   2919.92   7.307    293
   2918.33   7.303    536
   2916.75   7.299    282
   2914.06   7.292    150
   2911.25   7.285    370
   2907.96   7.277     81
   2905.52   7.271     72
   2904.05   7.267    114
   2902.71   7.264     56
   2062.87   5.162   1000
   1230.71   3.080    213
   1228.15   3.074    231
   1218.26   3.049    242
   1217.04   3.046    284
   1215.94   3.043    502
   1214.72   3.040    311
   1213.62   3.037    355
   1204.71   3.015    188
   1203.74   3.012    385
   1202.27   3.009    211
   1201.29   3.006    357
   1164.92   2.915    278
   1161.74   2.907    358
   1160.77   2.905    433
   1157.59   2.897    324
   1150.39   2.879    197
   1147.22   2.871    279
   1146.36   2.869    240
   1142.94   2.860    199
    870.61   2.179     44
    868.04   2.173     95
    866.09   2.168    107
    863.65   2.162    183
    861.21   2.155    110
    859.25   2.151     95
    856.57   2.144    102
    853.88   2.137    128
    852.05   2.132    154
    849.49   2.126    245
    847.05   2.120    144
    845.09   2.115    128
    842.53   2.109     59
    786.99   1.970     62
    783.94   1.962    129
    780.76   1.954     71
    774.66   1.939    104
    772.83   1.934     71
    771.48   1.931    243
    769.78   1.927    118
    768.55   1.924    120
    766.72   1.919     61
    762.21   1.908     64
    760.50   1.903     89
    759.16   1.900    127
    757.45   1.896    190
    756.10   1.892     77
    754.39   1.888     86
    748.17   1.873     47
    745.00   1.865     85
    741.94   1.857     44

in CDCl3