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882-33-7

二苯二硫醚(882-33-7)质谱(MS)

产品名称:二苯二硫醚

CAS:882-33-7

分子式:C12H10S2

分子量: 218.34

InChI:InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H

InChIKey: GUUVPOWQJOLRAS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4531          
    diphenyl disulfide
    C12H10S2            (Mass of molecular ion:    218)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          38.0       1.6
          39.0      12.4
          45.0       4.0
          50.0       3.0
          51.0       8.7
          57.0       1.2
          58.0       1.5
          63.0       2.6
          65.0      27.7
          66.0       2.8
          69.0       9.8
          77.0       8.8
          78.0       1.3
          82.0       2.4
          83.0       1.6
         108.0       6.0
         109.0      92.2
         110.0      10.2
         111.0       4.5
         140.0       5.2
         141.0       4.0
         152.0       1.0
         153.0       1.4
         154.0      14.7
         155.0       2.0
         184.0       4.8
         185.0      12.1
         186.0       4.2
         187.0       1.0
         217.0       1.2
         218.0     100.0
         219.0      15.0
         220.0      10.0
         221.0       1.3
    

parameter in acetone-d6

parameter in CDCl3

parameter in CS2

90 MHz in CDCl3

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    1H NMR 300 MHz
    C12 H10 S2 5 mol% in acetone-d6
    diphenyl disulfide
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.427 D(B) 7.187 D(C) 7.113 J(A,A') 2.12 J(A,B) 7.84 J(A,B') 0.54 J(A,C) 1.21 J(A',B) 0.54 J(A',B') 7.84 J(A',C) 1.21 J(B,B') 1.52 J(B,C) 7.50 J(B',C) 7.50 PAPPALARDO,G.C. & GRUTTADAURIA,S. Z.PHYS.CHEM. 94, 179 (1975)

         Hz     ppm     Int.
    

       2233.13   7.444    567
       2231.67   7.439    912
       2229.58   7.432    248
       2226.31   7.421    428
       2225.70   7.419    439
       2224.79   7.416    813
       2223.58   7.412    798
       2221.05   7.403    103
       2165.05   7.217    246
       2163.66   7.212    400
       2161.83   7.206    174
       2159.04   7.197    161
       2156.60   7.189   1000
       2155.04   7.183    494
       2150.58   7.169    339
       2149.15   7.164    666
       2146.59   7.155    102
       2141.32   7.138    271
       2139.91   7.133    510
       2138.54   7.128    277
       2135.11   7.117    159
       2132.70   7.109    482
       2129.89   7.100    102
       2126.66   7.089     87
       2125.34   7.084    143
       2124.05   7.080     73
    

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    1H NMR 300 MHz
    C12 H10 S2 5 mol% in CDCl3
    diphenyl disulfide
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.500 D(B) 7.277 D(C) 7.200 J(A,A') 2.04 J(A,B) 7.52 J(A,B') 0.53 J(A,C) 1.42 J(A',B) 0.53 J(A',B') 7.52 J(A',C) 1.42 J(B,B') 1.62 J(B,C) 7.21 J(B',C) 7.21 PAPPALARDO,G.C. & GRUTTADAURIA,S. Z.PHYS.CHEM. 94, 179 (1975)

         Hz     ppm     Int.
    

       2254.98   7.517    555
       2253.43   7.511    859
       2251.31   7.504    243
       2248.26   7.494    372
       2246.96   7.490    776
       2245.53   7.485    759
       2243.06   7.477     99
       2191.62   7.305    246
       2190.38   7.301    424
       2188.56   7.295    174
       2183.53   7.278   1000
       2182.05   7.273    498
       2177.75   7.259    320
       2176.35   7.254    622
       2173.81   7.246     94
       2167.46   7.225    248
       2165.90   7.220    466
       2164.36   7.215    249
       2161.42   7.205    154
       2158.81   7.196    395
       2156.14   7.187    104
       2153.33   7.178     86
       2151.83   7.173    143
       2150.35   7.168     72
    

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    1H NMR 300 MHz
    C12 H10 S2 5 mol% in CS2
    diphenyl disulfide
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.298 D(B) 7.032 D(C) 6.930 J(A,A') 1.95 J(A,B) 7.67 J(A,B') 0.50 J(A,C) 1.17 J(A',B) 0.50 J(A',B') 7.67 J(A',C) 1.17 J(B,B') 1.57 J(B,C) 7.37 J(B',C) 7.37 PAPPALARDO,G.C. & GRUTTADAURIA,S. Z.PHYS.CHEM. 94, 179 (1975)

         Hz     ppm     Int.
    

       2194.28   7.314    583
       2192.95   7.310    828
       2190.98   7.303    231
       2187.01   7.290    462
       2186.10   7.287    785
       2185.00   7.283    776
       2182.71   7.276    103
       2118.99   7.063    117
       2118.02   7.060    271
       2117.07   7.057    454
       2115.37   7.051    174
       2109.96   7.033   1000
       2108.62   7.029    450
       2103.91   7.013    284
       2102.53   7.008    585
       2100.24   7.001     95
       2086.61   6.955    223
       2085.36   6.951    408
       2084.11   6.947    225
       2080.17   6.934    152
       2078.07   6.927    445
       2075.92   6.920    120
       2072.07   6.907     95
       2070.85   6.903    161
       2069.64   6.899     86
    

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    1H NMR 89.56 MHz
    C12 H10 S2 0.046 g : 0.5 ml CDCl3
    diphenyl disulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.47 B 7.29 C 7.24

         Hz     ppm     Int.
    

        677.69   7.567     36
        676.94   7.559     31
        675.81   7.546    311
        675.13   7.539    123
        674.50   7.532     90
        673.69   7.523    171
        673.25   7.518    173
        672.69   7.512    152
        672.19   7.506    172
        671.31   7.496    170
        670.75   7.490    190
        670.19   7.484    180
        669.56   7.477    145
        668.50   7.465    216
        667.56   7.454    585
        665.81   7.435    556
        664.75   7.423    110
        662.88   7.402    120
        661.25   7.384    127
        660.44   7.375    125
        659.56   7.365     86
        657.44   7.341    120
        656.75   7.334    265
        655.75   7.322    102
        655.00   7.314    144
        653.56   7.298    162
        652.81   7.290    473
        652.06   7.281    532
        650.13   7.260    306
        649.56   7.253    394
        646.63   7.221    678
        645.69   7.210    213
        644.88   7.201   1000
        642.88   7.179    142
        642.25   7.172    114
        641.69   7.165     71
        640.63   7.154     78
        636.44   7.107     31
    

in CDCl3

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KBr disc

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nujol mull

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PHOTOLYSIS IN BENZENE AND NITROSOBENZENE

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