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Back ChemicalBook Home>CAS DataBase List>5324-84-5More Spectrum> Sodium 1-octanesulfonate(5324-84-5) IR1

Sodium 1-octanesulfonate(5324-84-5) IR1

Molecular FormulaC8H17NaO3S

Molecular Weight216.27

InChIInChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1

InChIKey HRQDCDQDOPSGBR-UHFFFAOYSA-M

Smiles[Na+].C(S([O-])(=O)=O)CCCCCCC

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H17 Na O3 S 0.038 g : 0.5 ml DMSO-d6
    sodium 1-octanesulfonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.441 B 1.569 C 1.28 D 1.25 E 0.862

         Hz     ppm     Int.
    

        982.54   2.459    248
        974.61   2.439    227
        972.17   2.433    158
        966.67   2.419    278
        643.07   1.610     43
        635.86   1.592    105
        630.86   1.579    110
        628.05   1.572    161
        625.12   1.565    109
        620.61   1.553    130
        612.67   1.534     63
        512.45   1.283    262
        498.41   1.248   1000
        351.56   0.880    247
        344.97   0.864    713
        337.89   0.846    293
    

in DMSO-d6

D2O





KBr disc



nujol mull



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