| SpectraBase Compound ID | HVBK21ozwxH |
|---|---|
| InChI | InChI=1S/C17H36O3S/c1-3-5-7-8-9-10-11-12-13-14-15-17-20-21(18)19-16-6-4-2/h3-17H2,1-2H3 |
| InChIKey | XRVKVNPMLQRAQW-UHFFFAOYSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C17H36O3S |
| Exact Mass | 320.238516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ehx6upINsLL |
|---|---|
| Name | Sulfurous acid, butyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.238516190 u |
| Formula | C17H36O3S |
| InChI | InChI=1S/C17H36O3S/c1-3-5-7-8-9-10-11-12-13-14-15-17-20-21(18)19-16-6-4-2/h3-17H2,1-2H3 |
| InChIKey | XRVKVNPMLQRAQW-UHFFFAOYSA-N |
| Molecular Weight | 320.532 g/mol |
| SMILES | C(CCOS(OCCCC)=O)CCCCCCCCCC |