3085-42-5

4,4'-二氯二苯基亚砜(3085-42-5)核磁图(¹HNMR)

产品名称:4,4'-二氯二苯基亚砜

CAS:3085-42-5

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

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

¹H NMR	399.65 MHz
C₁₂ H₈ Cl₂ O S	0.040 g : 0.5 ml DMSO-d₆
bis(p-chlorophenyl) sulfoxide

    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