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98-61-3

4-碘苯磺酰氯(98-61-3)红外图谱(IR2)

产品名称:4-碘苯磺酰氯

CAS:98-61-3

分子式:C6H4ClIO2S

分子量: 302.52

InChI:InChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H

InChIKey: POXFXTSTVWDWIR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4785          
    p-iodobenzenesulfonyl chloride
    C6H4ClIO2S          (Mass of molecular ion:    302)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          17.0       1.5
          18.0       6.0
          36.0       2.9
          37.0       2.0
          38.0       3.1
          39.0       1.3
          45.0       1.4
          48.0       2.5
          49.0       1.6
          50.0      47.5
          51.0       5.5
          61.0       1.2
          62.0       1.4
          63.0       3.7
          64.0       4.2
          69.0       2.2
          70.0       1.4
          73.0       2.5
          74.0      15.4
          75.0      24.1
          76.0     100.0
          77.0      11.6
          92.0       2.6
          95.0       1.1
          96.0       3.8
          99.0       1.0
         101.5       1.4
         108.0       1.6
         109.0       1.6
         111.0       6.4
         113.0       2.0
         119.0       1.0
         127.0       3.1
         133.5       1.8
         140.0       1.6
         191.0       1.9
         203.0      89.7
         204.0      10.4
         219.0       2.0
         236.0       2.0
         238.0       2.0
         251.0       3.6
         267.0      79.7
         268.0       6.7
         269.0       4.1
         302.0      56.5
         303.0       4.5
         304.0      21.1
         305.0       1.7
         306.0       1.1
         330.0       1.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H4 Cl I O2 S 0.052 g : 0.5 ml CDCl3
    p-iodobenzenesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.991 B 7.752

         Hz     ppm     Int.
    

        723.56   8.080     66
        721.44   8.056    532
        720.63   8.047    173
        719.31   8.032    165
        714.69   7.981    222
        712.56   7.957    961
        710.56   7.934    176
        709.75   7.925     52
        701.50   7.833     48
        701.00   7.828     74
        699.06   7.806    175
        697.13   7.784   1000
        696.50   7.777    305
        695.00   7.761    230
        690.25   7.708    166
        688.25   7.685    514
        686.25   7.663    101
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,100M,powder

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