![Ethanethioic acid, S-[8-(diethylphosphono)octyl] ester](/api/spectrum/5Qt14SjiBQE/structure.png?h=300&w=458 "Ethanethioic acid, S-[8-(diethylphosphono)octyl] ester")
| SpectraBase Compound ID | 3tcsrNW4gR7 |
|---|---|
| InChI | InChI=1S/C14H29O4PS/c1-4-17-19(16,18-5-2)12-10-8-6-7-9-11-13-20-14(3)15/h4-13H2,1-3H3 |
| InChIKey | FGAIPJJLSZRKBL-UHFFFAOYSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C14H29O4PS |
| Exact Mass | 324.152418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Qt14SjiBQE |
|---|---|
| Name | Ethanethioic acid, S-[8-(diethylphosphono)octyl] ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.152417582 u |
| Formula | C14H29O4PS |
| InChI | InChI=1S/C14H29O4PS/c1-4-17-19(16,18-5-2)12-10-8-6-7-9-11-13-20-14(3)15/h4-13H2,1-3H3 |
| InChIKey | FGAIPJJLSZRKBL-UHFFFAOYSA-N |
| Molecular Weight | 324.416 g/mol |
| SMILES | C(OP(OCC)(=O)CCCCCCCCSC(C)=O)C |