| SpectraBase Compound ID | 1yPxeBmdvNb |
|---|---|
| InChI | InChI=1S/C16H34O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-20(17)19-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | OOONNLUBRNIRBT-UHFFFAOYSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C16H34O3S |
| Exact Mass | 306.222866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hbqOPjw7kc |
|---|---|
| Name | Sulfurous acid, 2-propyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.222866126 u |
| Formula | C16H34O3S |
| InChI | InChI=1S/C16H34O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-20(17)19-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | OOONNLUBRNIRBT-UHFFFAOYSA-N |
| Molecular Weight | 306.505 g/mol |
| SMILES | CCCCCCCCCCCCCOS(OC(C)C)=O |