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Back ChemicalBook Home>CAS DataBase List>70145-54-9More Spectrum> Kojic Acid SodiuM Salt Hydrate(70145-54-9) 1H NMR

Kojic Acid SodiuM Salt Hydrate(70145-54-9) 1H NMR

Molecular FormulaC6H7NaO5

Molecular Weight182

InChIInChI=1S/C6H6O4.Na.H2O/c7-2-4-1-5(8)6(9)3-10-4;;/h1,3,7,9H,2H2;;1H2/q;+1;/p-1

InChIKey QUIWIBYGNGWKSV-UHFFFAOYSA-M

Smiles[Na+].O1C(CO)=CC(=O)C([O-])=C1.[H]O[H]

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C6 H5 Na O4 0.045 g : 0.5 ml D2O
    sodium kojate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.728 B 6.429 C 4.452

         Hz     ppm     Int.
    

       3088.62   7.729    640
       3085.94   7.722     21
       2569.58   6.430    480
       1779.42   4.453   1000
    

in D2O



KBr disc



nujol mull



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