105961-95-3

m-bis((phenylthio)methyl)benzene(105961-95-3) MS

Product Namem-bis((phenylthio)methyl)benzene

CAS 105961-95-3

Molecular FormulaC20H18S2

Molecular Weight322.48692

InChIInChI=1S/C20H18S2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-14H,15-16H2

InChIKey WAOMFYHGRYTZLT-UHFFFAOYSA-N

SmilesC1(CSC2=CC=CC=C2)=CC=CC(CSC2=CC=CC=C2)=C1

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¹HNMR

¹³CNMR

m-bis((phenylthio)methyl)benzene(105961-95-3) MS
Mass

MS-IW-9225          
m-bis((phenylthio)methyl)benzene
C20H18S2            (Mass of molecular ion:    322)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      39.0       5.0
      45.0       3.2
      50.0       1.2
      51.0       4.7
      52.0       1.7
      63.0       1.9
      65.0       6.0
      66.0       1.8
      69.0       2.1
      71.0       1.0
      76.0       1.0
      77.0       9.3
      78.0      21.9
      79.0       5.4
      89.0       1.6
      91.0      44.4
      92.0       3.5
     102.0       2.1
     103.0      22.9
     104.0      55.9
     105.0       5.8
     109.0       5.9
     110.0       4.4
     123.0       1.4
     129.0       1.6
     134.0       1.6
     135.0       8.2
     136.0       1.0
     147.0       1.8
     152.0       1.0
     161.0       4.4
     165.0       6.0
     166.0       2.4
     167.0       8.7
     168.0       1.3
     172.0       2.8
     178.0       3.8
     179.0      18.6
     180.0      19.4
     181.0       3.0
     185.0       3.6
     197.0       1.5
     198.0       2.2
     211.0       4.9
     212.0       1.1
     213.0     100.0
     214.0      16.5
     215.0       5.6
     322.0      42.3
     323.0       9.8
     324.0       4.7

400 MHz in CDCl3

m-bis((phenylthio)methyl)benzene(105961-95-3) MS

¹H NMR	399.65 MHz
C₂₀ H₁₈ S₂	0.023 g : 0.5 ml CDCl₃
m-bis((phenylthio)methyl)benzene

    Assign.     Shift(ppm)

      A             7.27
      B             7.24
      C             7.21
      D             7.18
      E             7.17
      F             7.14
      G             4.053

     Hz     ppm     Int.

   2911.25   7.285    216
   2909.55   7.281    329
   2908.69   7.279    119
   2907.35   7.275    118
   2904.66   7.269    178
   2903.93   7.267    256
   2902.71   7.264    607
   2901.86   7.262    325
   2901.37   7.260    504
   2899.29   7.255    125
   2897.34   7.250    274
   2896.36   7.248    448
   2894.29   7.243    130
   2891.48   7.236    205
   2890.87   7.234    607
   2890.26   7.232    422
   2889.40   7.230    598
   2887.57   7.226    279
   2886.23   7.222    162
   2885.74   7.221    165
   2884.03   7.217    120
   2883.42   7.215    181
   2882.08   7.212    209
   2881.71   7.211    216
   2881.23   7.210    213
   2879.52   7.206     49
   2877.56   7.201     42
   2877.08   7.200     42
   2871.95   7.187    190
   2870.36   7.183    290
   2868.65   7.178    218
   2865.97   7.172    126
   2864.01   7.167    224
   2863.28   7.165    329
   2862.92   7.164    326
   2860.72   7.159     88
   2857.06   7.149    236
   2856.45   7.148    264
   2855.71   7.146    220
   2851.93   7.137     55
   2851.44   7.135     69
   2850.95   7.134     59
   2849.98   7.132     56
   2849.49   7.130     66
   2849.00   7.129     59
   2848.27   7.127     58
   2846.56   7.123     45
   1620.00   4.054   1000

in CDCl3

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