| SpectraBase Compound ID | 9LqQ73s1VKA |
|---|---|
| InChI | InChI=1S/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3 |
| InChIKey | GYUCVQSNZFRDRL-UHFFFAOYSA-N |
| Mol Weight | 252.25 g/mol |
| Molecular Formula | C10H21O5P |
| Exact Mass | 252.112661 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2qcAdvjbaX2 |
|---|---|
| Name | 2-Diethoxyphosphorylbutyric acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.112660769 u |
| Formula | C10H21O5P |
| InChI | InChI=1S/C10H21O5P/c1-5-9(10(11)13-6-2)16(12,14-7-3)15-8-4/h9H,5-8H2,1-4H3 |
| InChIKey | GYUCVQSNZFRDRL-UHFFFAOYSA-N |
| Molecular Weight | 252.247 g/mol |
| SMILES | C(=O)(C(P(=O)(OCC)OCC)CC)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.981028 |