| SpectraBase Compound ID | IBOiEJC1hr5 |
|---|---|
| InChI | InChI=1S/C12H27O3PS2/c1-4-14-16(13,15-5-2)18-12-10-8-7-9-11-17-6-3/h4-12H2,1-3H3 |
| InChIKey | YYHJENXOVKNJLP-UHFFFAOYSA-N |
| Mol Weight | 314.44 g/mol |
| Molecular Formula | C12H27O3PS2 |
| Exact Mass | 314.113924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gvF6KDp69o |
|---|---|
| Name | o,o-Diethyl-S-(6-ethylthiohexyl)thiophosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.113924072 u |
| Formula | C12H27O3PS2 |
| InChI | InChI=1S/C12H27O3PS2/c1-4-14-16(13,15-5-2)18-12-10-8-7-9-11-17-6-3/h4-12H2,1-3H3 |
| InChIKey | YYHJENXOVKNJLP-UHFFFAOYSA-N |
| Molecular Weight | 314.439 g/mol |
| SMILES | C(OP(=O)(SCCCCCCSCC)OCC)C |