| SpectraBase Compound ID | JvGP2GyBjFD |
|---|---|
| InChI | InChI=1S/C19H40O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-23(20)22-19(3)17-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | AGOVKOCJQXKHRZ-UHFFFAOYSA-N |
| Mol Weight | 348.6 g/mol |
| Molecular Formula | C19H40O3S |
| Exact Mass | 348.269816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELl0CyDCq03 |
|---|---|
| Name | Sulfurous acid, 2-pentyl tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.269816319 u |
| Formula | C19H40O3S |
| InChI | InChI=1S/C19H40O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-21-23(20)22-19(3)17-5-2/h19H,4-18H2,1-3H3 |
| InChIKey | AGOVKOCJQXKHRZ-UHFFFAOYSA-N |
| Molecular Weight | 348.586 g/mol |
| SMILES | C(OS(OC(CCC)C)=O)CCCCCCCCCCCCC |