| SpectraBase Compound ID | IKdURERnVrp |
|---|---|
| InChI | InChI=1S/C9H17O5P/c1-4-7-12-9(10)8-15(11,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3 |
| InChIKey | USZLAMOPIWNLPH-UHFFFAOYSA-N |
| Mol Weight | 236.2 g/mol |
| Molecular Formula | C9H17O5P |
| Exact Mass | 236.081361 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4XbmQrQwylH |
|---|---|
| Name | Allyl-diethylphosphonoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.081360640 u |
| Formula | C9H17O5P |
| InChI | InChI=1S/C9H17O5P/c1-4-7-12-9(10)8-15(11,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3 |
| InChIKey | USZLAMOPIWNLPH-UHFFFAOYSA-N |
| Molecular Weight | 236.204 g/mol |
| SMILES | C(OP(=O)(OCC)CC(=O)OCC=C)C |
| Spectrum/Structure Validation Score (Raman) | 0.964163 |