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Back ChemicalBook Home>CAS DataBase List>142246-48-8More Spectrum> 4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) 13C NMR

142246-48-8

4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) 13C NMR

Molecular FormulaC6H2Cl2N2O3S

Molecular Weight253.06

InChIInChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H

InChIKey BPPRLMZEVZSIIJ-UHFFFAOYSA-N

SmilesN1=C2C(Cl)=CC=C(S(Cl)(=O)=O)C2=NO1

  • 4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) <sup>13</sup>C NMR
    Mass

    MS-IW-7204          
    7-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
    C6H2Cl2N2O3S        (Mass of molecular ion:    252)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          30.0       8.9
          36.0       1.9
          37.0       2.3
          38.0       1.3
          48.0       1.4
          49.0       1.2
          51.0       1.3
          61.0       4.8
          62.0       2.4
          63.0       1.9
          64.0       3.1
          72.0       2.5
          73.0       1.6
          74.0       3.6
          75.0       2.0
          76.0       2.3
          86.0       1.4
          87.0       5.8
          88.0      23.4
          89.0       2.8
          97.0       1.6
          98.0       5.4
         100.0       1.9
         104.0       2.2
         117.0       1.3
         122.0       1.0
         123.0       6.9
         124.0       1.8
         125.0       3.1
         139.0       2.4
         141.0       3.3
         143.0       1.5
         152.0       1.1
         153.0      13.1
         154.0       2.1
         155.0       4.3
         158.0       3.3
         160.0       2.2
         169.0       5.0
         171.0       1.7
         188.0       3.4
         190.0       2.2
         217.0     100.0
         218.0       8.2
         219.0      37.1
         220.0       3.0
         221.0       1.7
         252.0      18.1
         253.0       1.5
         254.0      12.4
         255.0       1.0
         256.0       2.4
    

400 MHz in CDCl3

  • 4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) <sup>13</sup>C NMR

    1H NMR 399.65 MHz
    C6 H2 Cl2 N2 O3 S 0.040 g : 0.5 ml CDCl3
    7-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.202 B 7.691

         Hz     ppm     Int.
    

       3281.86   8.212    905
       3279.05   8.205     29
       3277.22   8.201     31
       3274.29   8.193   1000
       3081.67   7.711     23
       3077.39   7.701    960
       3074.71   7.694     30
       3074.10   7.692     34
       3073.12   7.690     34
       3069.82   7.682    916
    

in CDCl3

  • 4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) <sup>13</sup>C NMR

KBr disc

  • 4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) <sup>13</sup>C NMR

nujol mull

  • 4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) <sup>13</sup>C NMR

4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) 13C NMR Atlas of Related Products

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