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139-66-2

二苯硫醚(139-66-2)Raman光谱

产品名称:二苯硫醚

CAS:139-66-2

分子式:C12H10S

分子量: 186.27

InChI:InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H

InChIKey: LTYMSROWYAPPGB-UHFFFAOYSA-N

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

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    Mass

    MS-IW-5634          
    diphenyl sulfide
    C12H10S             (Mass of molecular ion:    186)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          39.0       3.0
          45.0       1.2
          50.0       2.5
          51.0      11.4
          63.0       1.4
          65.0       5.4
          66.0       1.3
          69.0       3.3
          74.0       1.0
          75.0       1.0
          76.0       1.2
          77.0       9.6
          79.0       2.1
          80.0       1.6
          82.0       1.0
          84.0       1.0
          92.0       7.6
          92.5       1.5
          93.0       3.1
         102.0       1.4
         108.0       1.6
         109.0       4.2
         110.0       1.3
         115.0       2.3
         139.0       1.9
         141.0       2.5
         142.0       1.4
         151.0       1.2
         152.0       7.2
         153.0       4.2
         154.0       2.7
         171.0       4.3
         183.0       1.6
         184.0      25.8
         185.0      66.0
         186.0     100.0
         187.0      16.2
         188.0       5.2
    

90 MHz in CDCl3

parameter neat

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    1H NMR 89.56 MHz
    C12 H10 S 10.7 mol% in CDCl3
    diphenyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.08 to 7.44

         Hz     ppm     Int.
    

        662.63   7.399     52
        662.00   7.392     72
        660.19   7.372    118
        658.44   7.352    170
        657.50   7.342    222
        656.69   7.333    213
        656.13   7.327    221
        655.44   7.319    137
        654.88   7.313    176
        653.81   7.301    338
        653.31   7.295    476
        653.00   7.292    394
        652.44   7.285    359
        651.69   7.277   1000
        651.25   7.272    900
        650.31   7.262    523
        648.88   7.246    893
        648.13   7.237    764
        646.88   7.223    504
        646.19   7.216    188
        645.25   7.205    248
        644.56   7.197    366
        643.31   7.184    415
        642.69   7.177    177
        641.88   7.168     69
        640.69   7.154    356
        639.69   7.143     96
        638.56   7.130     63
    

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    1H NMR 300 MHz
    C12 H10 S neat
    diphenyl sulfide
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.204 D(B) 7.056 D(C) 7.004 J(A,A') 2.01 J(A,B) 7.84 J(A,B') 0.56 J(A,C) 1.22 J(A',B) 0.56 J(A',B') 7.84 J(A',C) 1.22 J(B,B') 1.50 J(B,C) 7.44 J(B',C) 7.44 HAYAMIZU,K. ET AL. J.MOL.SPECTROSC. 25, 422 (1968)

         Hz     ppm     Int.
    

       2166.41   7.221    540
       2164.79   7.216    727
       2162.66   7.209    251
       2159.81   7.199    461
       2158.13   7.194    908
       2156.78   7.189    883
       2154.17   7.181    112
       2148.90   7.163     11
       2126.09   7.087    250
       2123.94   7.080    315
       2122.20   7.074    169
       2120.07   7.067    161
       2118.17   7.061    656
       2117.42   7.058   1000
       2115.90   7.053    396
       2115.16   7.051    268
       2111.61   7.039    388
       2110.11   7.034    688
       2108.10   7.027    380
       2106.47   7.022    632
       2104.92   7.016    327
       2102.45   7.008    167
       2099.49   6.998    358
       2095.98   6.987     70
       2093.81   6.979     72
       2092.39   6.975    110
       2091.01   6.970     54
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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