1-Octanesulfonic acid sodium salt
Compound with spectra: 6 NMR, 5 FTIR, and 2 Raman
| SpectraBase Compound ID | ADFOb8qb065 |
|---|---|
| InChI | InChI=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 |
| Mol Weight | 216.27 g/mol |
| Molecular Formula | C8H17NaO3S |
| Exact Mass | 216.07961 g/mol |
| Parent InChIKey | WLGDAKIJYPIYLR-UHFFFAOYSA-M |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 106453 |
| Solvent | D2O |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Trifluoroacetic acid |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 106453 |
| Solvent | D2O |
| Copyright | Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | A14292 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 221562 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Catalog Number | O 123 |
| Technique | FILM (CAST FROM H2O) |
| Copyright | Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | A14292 |
| Technique | KBr1 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 106453 |
| Technique | Mull |
| Copyright | Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | A14292 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 221562 |
- Sodium 1-octanesulfonate
- SODIUM-OCTANESULFONATE
- N-OCTYLSULFONATE
- Sodium caprylyl sulfonate
1-octanesulfonic acid, sodium salt, monohydrate
Octylsulfonate anion
1-Heptanesulfonic acid sodium salt
Heptane-1-sulfonic acid, anion
1-Hexanesulfonic acid sodium salt
Hexanesulfonic acid, anion
Pentane-1-sulfonic acid, anion
1-butanesulfonic acid, sodium salt, monohydrate
1-Butanesulfonic acid sodium salt
Butane-1-sulphonic acid, anion
| Title | Journal or Book | Year |
|---|---|---|
| 13C NMR of acyclic sulphonated compounds including some fluorosulphonic acids: A chemical shift study | Magnetic Resonance in Chemistry | 1995 |
| 13C chemical shifts and13C13C coupling constants of some alkyl(aryl)sulphonates | Magnetic Resonance in Chemistry | 1986 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.