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3561-67-9

二苯硫基甲烷(3561-67-9)核磁图(13CNMR)

产品名称:二苯硫基甲烷

CAS:3561-67-9

分子式:C13H12S2

分子量: 232.36

InChI:InChI=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

Smiles:C(SC1=CC=CC=C1)SC1=CC=CC=C1

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    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

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

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KBr disc

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nujol mull

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