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Back ChemicalBook Home>CAS DataBase List>17625-03-5More Spectrum> Sodium 3-sulfobenzoate(17625-03-5) 1H NMR

17625-03-5

Sodium 3-sulfobenzoate(17625-03-5) 1H NMR

Molecular FormulaC7H5O5S.Na

Molecular Weight224.17

InChIInChI=1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1

InChIKey KQHKITXZJDOIOD-UHFFFAOYSA-M

SmilesC1(S([O-])(=O)=O)C=CC=C(C(=O)O)C=1.[Na+]

90 MHz in D2O

  • Sodium 3-sulfobenzoate(17625-03-5) <sup>1</sup>H NMR

    1H NMR 89.56 MHz
    C7 H5 Na O5 S 0.041 g : 0.5 ml D2O
    sodium m-carboxybenzenesulfonate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.408
      B     *1      8.14
      C     *1      8.08
      D             7.683
     
     SOLVENT PEAK REMOVED
  

         Hz     ppm     Int.


        753.06   8.409   1000
    751.44   8.391    684
    745.20   8.321     27
    743.58   8.303     27
    734.18   8.198    498
    732.64   8.181    327
    726.66   8.114    965
    720.94   8.050    566
    719.40   8.033    642
    698.46   7.799     30
    698.21   7.797     30
    697.95   7.794     30
    694.45   7.755    637
    691.28   7.719     60
    690.26   7.708     58
    686.67   7.668    805
    681.80   7.613     46
    678.89   7.581    303

in D2O

  • Sodium 3-sulfobenzoate(17625-03-5) <sup>1</sup>H NMR

KBr disc

  • Sodium 3-sulfobenzoate(17625-03-5) <sup>1</sup>H NMR

Sodium 3-sulfobenzoate(17625-03-5) 1H NMR Atlas of Related Products

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