1-HEXYLSODIU MSULFONATE(2207-98-9) IR2
Product Name1-HEXYLSODIUMSULFONATE
CAS2207-98-9
Molecular FormulaC6H13NaO4S
Molecular Weight204.22
InChIInChI=1S/C6H14O4S.Na/c1-2-3-4-5-6-10-11(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1
InChIKey WSVLUYNDHYCZGD-UHFFFAOYSA-M
SmilesO(S([O-])(=O)=O)CCCCCC.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H13 Na O4 S 0.047 g : 0.5 ml DMSO-d6 sodium hexyl sulfate 
Assign. Shift(ppm)
A 3.722 B 1.499 C 1.30 to 1.25 D 0.869
Hz ppm Int.1494.51 3.740 419 1487.79 3.723 905 1484.01 3.714 56 1481.20 3.707 440 613.28 1.535 37 612.30 1.533 36 611.45 1.530 35 606.81 1.519 133 605.47 1.516 124 599.98 1.502 207 598.88 1.499 209 592.29 1.483 189 585.69 1.466 74 529.66 1.326 56 522.58 1.308 156 515.38 1.290 279 514.77 1.289 277 510.86 1.279 366 505.25 1.265 615 496.58 1.243 134 492.68 1.233 90 490.11 1.227 52 487.92 1.221 43 354.49 0.888 286 351.68 0.880 187 347.78 0.871 1000 340.70 0.853 368
in DMSO-d6
KBr disc
nujol mull
