Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>17625-03-5More Spectrum> Sodium 3-sulfobenzoate(17625-03-5) 13C NMR

Sodium 3-sulfobenzoate(17625-03-5) 13C 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


  • 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



KBr disc



Sodium 3-sulfobenzoate(17625-03-5) 13C NMR Atlas of Related Products

×