| SpectraBase Compound ID | AfNtyG0hT4w |
|---|---|
| InChI | InChI=1S/C12H27O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h4-12H2,1-3H3 |
| InChIKey | MVDVRXOWIPONFY-UHFFFAOYSA-N |
| Mol Weight | 250.32 g/mol |
| Molecular Formula | C12H27O3P |
| Exact Mass | 250.169782 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Blh9bWScR79 |
|---|---|
| Name | Diethyl 1-octylphosphonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.169781724 u |
| Formula | C12H27O3P |
| InChI | InChI=1S/C12H27O3P/c1-4-7-8-9-10-11-12-16(13,14-5-2)15-6-3/h4-12H2,1-3H3 |
| InChIKey | MVDVRXOWIPONFY-UHFFFAOYSA-N |
| Molecular Weight | 250.319 g/mol |
| SMILES | C(OP(=O)(OCC)CCCCCCCC)C |