| SpectraBase Compound ID | 3zUb41mT3tu |
|---|---|
| InChI | InChI=1S/C9H19O4P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h8H,3-7,9H2,1-2H3 |
| InChIKey | XPALQMAGHWJTGE-UHFFFAOYSA-N |
| Mol Weight | 222.22 g/mol |
| Molecular Formula | C9H19O4P |
| Exact Mass | 222.102096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxkLUZBb4ac |
|---|---|
| Name | 4-Formylbutylphosphonic-acid-diethylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.102096086 u |
| Formula | C9H19O4P |
| InChI | InChI=1S/C9H19O4P/c1-3-12-14(11,13-4-2)9-7-5-6-8-10/h8H,3-7,9H2,1-2H3 |
| InChIKey | XPALQMAGHWJTGE-UHFFFAOYSA-N |
| Molecular Weight | 222.221 g/mol |
| SMILES | C(OP(=O)(OCC)CCCCC=O)C |