| SpectraBase Compound ID | FPDmZbxqEBG |
|---|---|
| InChI | InChI=1S/C23H48O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-27(24)26-23(3)21-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | SLDVQTNJTQTNEE-UHFFFAOYSA-N |
| Mol Weight | 404.7 g/mol |
| Molecular Formula | C23H48O3S |
| Exact Mass | 404.332417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 46Q9HRixmKl |
|---|---|
| Name | Sulfurous acid, octadecyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.332416577 u |
| Formula | C23H48O3S |
| InChI | InChI=1S/C23H48O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-27(24)26-23(3)21-5-2/h23H,4-22H2,1-3H3 |
| InChIKey | SLDVQTNJTQTNEE-UHFFFAOYSA-N |
| Molecular Weight | 404.694 g/mol |
| SMILES | C(COS(OC(CCC)C)=O)CCCCCCCCCCCCCCCC |