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Back ChemicalBook Home>CAS DataBase List>831-59-4More Spectrum> 1,3-BENZENEDISULFONIC ACID DISODIUM SALT(831-59-4) 13C NMR

831-59-4

1,3-BENZENEDISULFONIC ACID DISODIUM SALT(831-59-4) 13C NMR

Molecular FormulaC6H7NaO6S2

Molecular Weight262.23

InChIInChI=1S/C6H6O6S2.2Na/c7-13(8,9)5-2-1-3-6(4-5)14(10,11)12;;/h1-4H,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2

InChIKey XWPWZOJBTOJEGW-UHFFFAOYSA-L

SmilesC1(S([O-])(=O)=O)=CC=CC(S([O-])(=O)=O)=C1.[Na+].[Na+]

90 MHz in D2O

  • 1,3-BENZENEDISULFONIC ACID DISODIUM SALT(831-59-4) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C6 H4 Na2 O6 S2 0.038 g : 0.5 ml D2O
    disodium m-benzenedisulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.222 B 8.001 C 7.72

         Hz     ppm     Int.
    

        738.50   8.246    210
        737.94   8.240    237
        736.56   8.225    444
        734.88   8.206    317
        723.31   8.077    359
        721.81   8.060    597
        719.88   8.038    321
        715.25   7.987    660
        714.44   7.978   1000
        713.44   7.967    636
        712.81   7.960    636
        698.19   7.796    456
        697.56   7.789    427
        691.56   7.722    297
        691.06   7.717    276
        689.31   7.697    227
        688.63   7.690    212
        682.75   7.624    155
        682.13   7.617    140
    

in D2O

  • 1,3-BENZENEDISULFONIC ACID DISODIUM SALT(831-59-4) <sup>13</sup>C NMR

KBr disc

  • 1,3-BENZENEDISULFONIC ACID DISODIUM SALT(831-59-4) <sup>13</sup>C NMR

nujol mull

  • 1,3-BENZENEDISULFONIC ACID DISODIUM SALT(831-59-4) <sup>13</sup>C NMR

  • 1,3-BENZENEDISULFONIC ACID DISODIUM SALT(831-59-4) <sup>13</sup>C NMR

1,3-BENZENEDISULFONIC ACID DISODIUM SALT(831-59-4) 13C NMR Atlas of Related Products

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