| SpectraBase Compound ID | 18QqFRHMYYZ |
|---|---|
| InChI | InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21) |
| InChIKey | KWXICGTUELOLSQ-UHFFFAOYSA-N |
| Mol Weight | 326.5 g/mol |
| Molecular Formula | C18H30O3S |
| Exact Mass | 326.191566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6w0acnGW9Zw |
|---|---|
| Name | Dodecylbenzenesulfonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.191565997 u |
| Formula | C18H30O3S |
| InChI | InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21) |
| InChIKey | KWXICGTUELOLSQ-UHFFFAOYSA-N |
| Molecular Weight | 326.495 g/mol |
| SMILES | OS(C=1C=CC(=CC1)CCCCCCCCCCCC)(=O)=O |