3,5-二氯-2-羥基苯磺酰氯(23378-88-3)Raman光譜

產(chǎn)品名稱:3,5-二氯-2-羥基苯磺酰氯

CAS:23378-88-3

分子式:C6H3Cl3O3S

分子量: 261.51

InChI:InChI=1S/C6H3Cl3O3S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2,10H

InChIKey: KXFQRJNVGBIDHA-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=CC(Cl)=CC(Cl)=C1O

Mass

MS-NW-6568          
3,5-dichloro-2-hydroxybenzenesulfonyl chloride
C6H3Cl3O3S          (Mass of molecular ion:    260)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.2
      28.0       3.6
      35.0       1.8
      36.0       9.3
      37.0       4.4
      38.0       3.0
      45.0       1.8
      47.0       1.6
      48.0       4.8
      48.5       1.0
      49.0       3.0
      50.0       3.6
      53.0       8.7
      60.0       2.6
      61.0      11.2
      62.0      21.6
      63.0      12.7
      64.0       5.5
      65.0       4.0
      66.0       1.7
      69.0       2.7
      71.0       1.4
      72.0       4.5
      73.0      12.7
      74.0       2.7
      75.0       4.0
      79.0       1.6
      80.0       1.6
      81.0       1.8
      82.0       2.7
      83.0       4.6
      84.0       1.6
      85.0       3.6
      87.0       2.4
      90.0       2.0
      91.0       1.6
      93.0       2.5
      95.0       1.0
      96.0       4.4
      97.0      46.9
      98.0       5.1
      99.0      15.5
     100.0       1.8
     107.0       3.7
     109.0       2.6
     112.0       4.6
     113.0       4.6
     120.0       1.5
     122.0       1.0
     125.0       7.0
     126.0       3.4
     127.0       2.7
     128.0       1.2
     129.0       3.5
     131.0       2.1
     132.0      31.5
     133.0      35.3
     134.0      22.3
     135.0      22.0
     136.0       4.7
     137.0       3.8
     141.0       1.1
     148.0       6.5
     149.0       2.4
     150.0       4.5
     151.0       1.6
     152.0       1.2
     160.0     100.0
     161.0      14.6
     162.0      67.9
     163.0       9.7
     164.0      13.2
     165.0       2.0
     177.0      23.1
     178.0       1.8
     179.0      14.9
     180.0       1.1
     181.0       2.9
     224.0      48.8
     225.0      25.2
     226.0      35.3
     227.0      17.2
     228.0       7.6
     229.0       3.5
     260.0      46.7
     261.0       3.8
     262.0      47.3
     263.0       3.6
     264.0      17.0
     265.0       1.3
     266.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl₃ O₃ S	0.048 g : 0.5 ml CDCl₃
3,5-dichloro-2-hydroxybenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             8.00
      B             7.784
      C             7.717
     
     J(B,C)=2.5HZ.

     Hz     ppm     Int.

    716.19   7.997    285
    698.88   7.804    483
    696.38   7.776   1000
    694.19   7.752     25
    692.00   7.727    819
    689.50   7.699    401
    688.25   7.685     31

in CDCl3