| SpectraBase Compound ID | 245iu73cCrK |
|---|---|
| InChI | InChI=1S/C18H30O3S.Na/c19-22(20,21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18;/h9,11-12,15-16H,1-8,10,13-14,17H2,(H,19,20,21);/q;+1/p-1 |
| InChIKey | KJXRRKDCVAVBRI-UHFFFAOYSA-M |
| Mol Weight | 348.48 g/mol |
| Molecular Formula | C18H29NaO3S |
| Exact Mass | 348.17351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6jxOD1ky85 |
|---|---|
| Name | Sodium dodecylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.173510245 u |
| Formula | C18H29NaO3S |
| InChI | InChI=1S/C18H30O3S.Na/c19-22(20,21)17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18;/h9,11-12,15-16H,1-8,10,13-14,17H2,(H,19,20,21);/q;+1/p-1 |
| InChIKey | KJXRRKDCVAVBRI-UHFFFAOYSA-M |
| Molecular Weight | 348.477 g/mol |
| SMILES | S(O[Na])(=O)(=O)CCCCCCCCCCCCC1=CC=CC=C1 |