SODIUM 4-N-OCTYLBENZENESULFONATE(6149-03-7) IR2
Product NameSODIUM 4-N-OCTYLBENZENESULFONATE
CAS6149-03-7
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+]
400 MHz in DMSO-d6
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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
