| SpectraBase Compound ID | 8OS1Gu7Zvnm |
|---|---|
| InChI | InChI=1S/C22H46O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-26(23)25-22(3)20-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | WPRMXQOQMSXQOT-UHFFFAOYSA-N |
| Mol Weight | 390.7 g/mol |
| Molecular Formula | C22H46O3S |
| Exact Mass | 390.316767 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | WxL0ihT76o |
|---|---|
| Name | Sulfurous acid, heptadecyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.316766512 u |
| Formula | C22H46O3S |
| InChI | InChI=1S/C22H46O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-26(23)25-22(3)20-5-2/h22H,4-21H2,1-3H3 |
| InChIKey | WPRMXQOQMSXQOT-UHFFFAOYSA-N |
| Molecular Weight | 390.667 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCOS(OC(CCC)C)=O |