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返回ChemicalBook首页>CAS数据库列表>3085-42-5更多图谱> 4,4'-二氯二苯基亚砜(3085-42-5)核磁图(1HNMR)

3085-42-5

4,4'-二氯二苯基亚砜(3085-42-5)核磁图(1HNMR)

分子式:C12H8Cl2OS

分子量: 271.16

InChI:InChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H

InChIKey: KJGYFISADIZFEL-UHFFFAOYSA-N

Smiles:S(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)=O

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    Mass

    MS-NW-9397          
    bis(p-chlorophenyl) sulfoxide
    C12H8Cl2OS          (Mass of molecular ion:    270)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.6
          18.0       8.5
          28.0       1.9
          36.0       1.7
          38.0       1.5
          39.0       2.6
          45.0       3.9
          50.0      15.7
          51.0       8.4
          58.0       1.1
          61.0       1.8
          62.0       1.7
          63.0       6.8
          64.0       1.1
          69.0       5.0
          73.0       5.6
          74.0       8.6
          75.0      38.7
          76.0       6.8
          77.0       1.9
          79.0       1.4
          81.0       1.1
          82.0       2.2
          84.0       1.2
          85.0       4.5
          87.0       3.0
          91.0       3.5
          91.5       2.1
          92.0       1.2
          93.0       1.3
          95.0       1.7
          96.0       1.7
          99.0      19.8
         100.0       1.5
         101.0       6.5
         107.0       2.1
         108.0      31.0
         109.0       6.4
         110.0       3.2
         111.0      19.6
         112.0       5.6
         113.0       6.2
         114.0       1.4
         115.0       1.5
         126.0       1.0
         127.0      33.9
         128.0       2.7
         129.0      10.7
         130.0       1.2
         131.0      11.0
         133.0       4.2
         136.0       1.0
         139.0       3.4
         142.0       1.3
         143.0     100.0
         144.0       8.6
         145.0      37.1
         146.0       3.0
         147.0       1.6
         150.0       1.3
         151.0       2.6
         152.0      14.0
         153.0       1.8
         156.0       1.3
         159.0      21.8
         160.0       1.9
         161.0       8.0
         171.0       2.1
         172.0       2.4
         173.0       1.1
         182.0       1.1
         183.0       3.7
         184.0      18.6
         185.0       2.9
         186.0       3.5
         187.0       1.2
         200.0       1.3
         207.0       2.0
         218.0       7.1
         219.0       5.1
         220.0       3.2
         221.0       1.9
         222.0      59.4
         223.0       8.0
         224.0      38.1
         225.0       5.0
         226.0       6.3
         235.0       2.6
         237.0       1.0
         254.0      16.7
         255.0       2.7
         256.0      11.3
         257.0       1.6
         258.0       2.1
         270.0      43.7
         271.0       6.3
         272.0      30.4
         273.0       4.3
         274.0       6.1
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C12 H8 Cl2 O S 0.040 g : 0.5 ml DMSO-d6
    bis(p-chlorophenyl) sulfoxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.776 B 7.636

         Hz     ppm     Int.
    

       3115.36   7.796     99
       3112.92   7.790    738
       3111.08   7.785    282
       3106.32   7.773    316
       3104.25   7.768   1000
       3101.81   7.762    177
       3057.98   7.652    152
       3055.54   7.646    963
       3053.59   7.641    317
       3048.83   7.629    270
       3047.00   7.625    732
       3044.43   7.618    127
    

in DMSO-d6

in CDCl3

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KBr disc

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nujol mull

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