SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) IR1

Product NameSODIUM 4-N-OCTYLBENZENESULFONATE

CAS 6149-03-7

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+]

Request For Quotation

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₂₁ Na O₃ S	0.036 g : 0.5 ml DMSO-d₆
p-octylbenzenesulfonic acid sodium salt

    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

KBr disc

nujol mull

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