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1656-44-6

2,4-二硝基苯磺酰氯(1656-44-6)Raman光谱

分子式:C6H3ClN2O6S

分子量: 266.62

InChI:InChI=1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H

InChIKey: SSFSNKZUKDBPIT-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

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    Mass

    MS-NW-6488          
    2,4-dinitrobenzenesulfonyl chloride
    C6H3ClN2O6S         (Mass of molecular ion:    266)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.5
          18.0       7.3
          28.0       3.8
          30.0      45.0
          36.0       3.0
          37.0       2.1
          38.0       5.1
          39.0       2.4
          45.0       1.9
          46.0       4.6
          48.0       7.7
          49.0       1.1
          50.0       4.1
          51.0       3.8
          53.0       2.9
          61.0       1.8
          62.0       5.8
          63.0      15.1
          64.0      20.7
          66.0       1.0
          69.0       1.6
          73.0       3.0
          74.0      21.0
          75.0      35.2
          76.0       4.9
          77.0       3.0
          79.0       8.9
          84.0       1.8
          86.0       1.1
          91.0       2.8
          92.0       1.2
          93.0       6.4
          98.0       1.5
         107.0       1.8
         109.0       7.2
         110.0       9.0
         111.0       3.4
         112.0       3.2
         126.0       2.5
         140.0       1.2
         156.0       1.2
         168.0       2.3
         202.0      10.7
         204.0       4.1
         214.0       1.9
         231.0     100.0
         232.0       8.3
         233.0       6.2
         266.0       2.7
         268.0       1.2
         288.0       3.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H3 Cl N2 O6 S 0.046 g : 0.5 ml CDCl3
    2,4-dinitrobenzenesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.70 B 8.66 C 8.51 J(A,B)=2.0HZ. J(B,C)=9.1HZ.

         Hz     ppm     Int.
    

        783.13   8.745     59
        781.13   8.722    390
        780.00   8.710    562
        777.94   8.687    552
        775.94   8.664     44
        774.00   8.643    705
        771.88   8.619    408
        770.00   8.598     31
        769.63   8.594     30
        765.31   8.546   1000
        762.88   8.519     37
        762.13   8.510     69
        759.25   8.478     66
        756.06   8.442    308
    

in CDCl3

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KBr disc

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