3561-67-9

BIS(PHENYLTHIO)METHANE(3561-67-9) ¹³C NMR

Product NameBIS(PHENYLTHIO)METHANE

CAS 3561-67-9

Molecular FormulaC13H12S2

Molecular Weight232.36

InChIInChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey ZHUPZVIALZHGGP-UHFFFAOYSA-N

SmilesC(SC1=CC=CC=C1)SC1=CC=CC=C1

Request For Quotation

BIS(PHENYLTHIO)METHANE(3561-67-9) <sup>13</sup>C NMR
Mass

MS-IW-2671          
bis(phenylthio)methane
C13H12S2            (Mass of molecular ion:    232)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       3.0
      45.0      29.6
      46.0       1.0
      47.0       1.4
      50.0       1.7
      51.0       8.3
      65.0       4.6
      69.0       2.1
      77.0      11.5
      78.0       1.6
      79.0       5.5
      91.0       2.2
     108.0       1.3
     109.0       6.1
     110.0       1.3
     121.0       2.3
     123.0     100.0
     124.0       8.8
     125.0       5.0
     232.0      19.1
     233.0       2.9
     234.0       1.9

400 MHz in CDCl3

BIS(PHENYLTHIO)METHANE(3561-67-9) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₃ H₁₂ S₂	0.033 g : 0.5 ml CDCl₃
bis(phenylthio)methane

    Assign.     Shift(ppm)

      A             7.418
      B             7.302
      C             7.244
      D             4.336

     Hz     ppm     Int.

   2969.97   7.432    282
   2968.51   7.428    444
   2966.43   7.423    124
   2962.77   7.414    223
   2961.55   7.411    453
   2960.45   7.408    420
   2958.01   7.402     67
   2927.25   7.325    145
   2926.15   7.322    252
   2924.19   7.317     98
   2921.26   7.310     92
   2918.95   7.304    516
   2917.36   7.300    247
   2912.84   7.289    153
   2911.50   7.286    297
   2908.94   7.279     52
   2901.49   7.261    137
   2900.15   7.257    247
   2898.80   7.254    137
   2895.14   7.245     91
   2892.82   7.239    249
   2886.84   7.224     55
   2885.50   7.221     85
   2884.28   7.218     46
   1734.99   4.342     49
   1733.15   4.337   1000

in CDCl3