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Back ChemicalBook Home>CAS DataBase List>4955-90-2More Spectrum> Sodium gentisate(4955-90-2) 1H NMR

Sodium gentisate(4955-90-2) 1H NMR

Product NameSodium gentisate

CAS4955-90-2

Molecular FormulaC7H7NaO4

Molecular Weight178.12

InChIInChI=1S/C7H6O4.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,8-9H,(H,10,11);/q;+1/p-1

InChIKey MOIJZWWOFOQFMH-UHFFFAOYSA-M

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

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H5 Na O4 0.041 g : 0.5 ml DMSO-d6
    sodium 2,5-dihydroxybenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 14.5 B *1 8.77 C 7.201 D 6.672 E 6.509

         Hz     ppm     Int.
    

       5783.14  14.471    148
       3504.21   8.769    509
       2879.39   7.205    877
       2876.40   7.198    898
       2672.97   6.689    505
       2669.77   6.681    484
       2664.43   6.667    617
       2661.22   6.659    631
       2605.45   6.520   1000
       2596.90   6.498    793
    

in D2O

in DMSO-d6





KBr disc



nujol mull



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