![Ethanethioic acid, S-[8-(dibutylphosphonyl)octyl] ester](/api/spectrum/B8CvfvL3MTQ/structure.png?h=300&w=458 "Ethanethioic acid, S-[8-(dibutylphosphonyl)octyl] ester")
| SpectraBase Compound ID | 9lAnz2T81RN |
|---|---|
| InChI | InChI=1S/C18H37O4PS/c1-4-6-14-21-23(20,22-15-7-5-2)16-12-10-8-9-11-13-17-24-18(3)19/h4-17H2,1-3H3 |
| InChIKey | USXGSVZHPXBSQP-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C18H37O4PS |
| Exact Mass | 380.215018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8CvfvL3MTQ |
|---|---|
| Name | Ethanethioic acid, S-[8-(dibutylphosphonyl)octyl] ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.215017839 u |
| Formula | C18H37O4PS |
| InChI | InChI=1S/C18H37O4PS/c1-4-6-14-21-23(20,22-15-7-5-2)16-12-10-8-9-11-13-17-24-18(3)19/h4-17H2,1-3H3 |
| InChIKey | USXGSVZHPXBSQP-UHFFFAOYSA-N |
| Molecular Weight | 380.524 g/mol |
| SMILES | C(OP(OCCCC)(=O)CCCCCCCCSC(C)=O)CCC |