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Back ChemicalBook Home>CAS DataBase List>6149-03-7More Spectrum> SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) 1H NMR

6149-03-7

SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) 1H NMR

Molecular FormulaC14H21NaO3S

Molecular Weight292.37

InChIInChI=1S/C14H22O3S.Na/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;/h9-12H,2-8H2,1H3,(H,15,16,17);/q;+1/p-1

InChIKey ASJUTVUXOMPOQH-UHFFFAOYSA-M

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

400 MHz in DMSO-d6

  • SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C14 H21 Na O3 S 0.036 g : 0.5 ml DMSO-d6
    p-octylbenzenesulfonic acid sodium salt
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.532 B 7.133 C 2.556 D 1.545 E 1.27 F 1.24 G 0.849

         Hz     ppm     Int.
    

       3015.87   7.547    103
       3014.16   7.543    581
       3012.33   7.538    221
       3007.69   7.526    222
       3005.86   7.522    672
       2854.98   7.144    543
       2846.68   7.123    495
       1029.42   2.576    218
       1021.85   2.557    325
       1014.16   2.538    233
        631.84   1.581     36
        631.59   1.581     36
        630.86   1.579     35
        624.51   1.563    116
        617.43   1.545    160
        617.07   1.545    159
        610.35   1.528    115
        521.36   1.305     37
        505.98   1.267    681
        504.64   1.263    687
        500.98   1.254    596
        496.46   1.243    654
        346.56   0.868    292
        339.84   0.851   1000
        332.76   0.833    349
          0.00   0.001    357
    

in DMSO-d6

  • SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) <sup>1</sup>H NMR

KBr disc

  • SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) <sup>1</sup>H NMR

nujol mull

  • SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) <sup>1</sup>H NMR

  • SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) <sup>1</sup>H NMR

SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) 1H NMR Atlas of Related Products

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