| SpectraBase Compound ID | Kud8g93yGUD |
|---|---|
| InChI | InChI=1S/C21H44O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-25(22)24-21(2)3/h21H,4-20H2,1-3H3 |
| InChIKey | NDGWBWGCQGULBA-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 | 2t3geGNqEPm |
|---|---|
| Name | Sulfurous acid, octadecyl 2-propyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-25(22)24-21(2)3/h21H,4-20H2,1-3H3 |
| InChIKey | NDGWBWGCQGULBA-UHFFFAOYSA-N |
| Molecular Weight | 376.640 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCOS(OC(C)C)=O |