Sodium 1-octanesulfonate(5324-84-5) IR1
Product NameSodium 1-octanesulfonate
CAS5324-84-5
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 
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
