| SpectraBase Compound ID | GikiHd1fwyJ |
|---|---|
| InChI | InChI=1S/C21H44O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-25(22)23-20-6-4-2/h3-21H2,1-2H3 |
| InChIKey | PZRHCVOTNDMHTG-UHFFFAOYSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C21H44O3S |
| Exact Mass | 376.301116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHnPa1R2wwN |
|---|---|
| Name | Sulfurous acid, butyl heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.301116448 u |
| Formula | C21H44O3S |
| InChI | InChI=1S/C21H44O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-25(22)23-20-6-4-2/h3-21H2,1-2H3 |
| InChIKey | PZRHCVOTNDMHTG-UHFFFAOYSA-N |
| Molecular Weight | 376.640 g/mol |
| SMILES | C(CCCOS(OCCCC)=O)CCCCCCCCCCCCC |