| SpectraBase Compound ID | BQoS4IoKlUK |
|---|---|
| InChI | InChI=1S/C8H17O4P/c1-4-11-13(10,12-5-2)7-6-8(3)9/h4-7H2,1-3H3 |
| InChIKey | JTQRTGRGGCXPMU-UHFFFAOYSA-N |
| Mol Weight | 208.19 g/mol |
| Molecular Formula | C8H17O4P |
| Exact Mass | 208.086446 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | A1KWXf04KpR |
|---|---|
| Name | 2-Acetylethyl-phosphonic-acid-diethylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.086446021 u |
| Formula | C8H17O4P |
| InChI | InChI=1S/C8H17O4P/c1-4-11-13(10,12-5-2)7-6-8(3)9/h4-7H2,1-3H3 |
| InChIKey | JTQRTGRGGCXPMU-UHFFFAOYSA-N |
| Molecular Weight | 208.194 g/mol |
| SMILES | C(OP(=O)(OCC)CCC(=O)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.974856 |