| SpectraBase Compound ID | IKWUzRvio2 |
|---|---|
| InChI | InChI=1S/C11H22O4/c1-5-13-10(12)8-9-11(4,14-6-2)15-7-3/h5-9H2,1-4H3 |
| InChIKey | JWMRPSYVFUZQCJ-UHFFFAOYSA-N |
| Mol Weight | 218.29 g/mol |
| Molecular Formula | C11H22O4 |
| Exact Mass | 218.151809 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2dlqvSQdUiZ |
|---|---|
| Name | Ethyl-4,4-diethoxy-pentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.151809184 u |
| Formula | C11H22O4 |
| InChI | InChI=1S/C11H22O4/c1-5-13-10(12)8-9-11(4,14-6-2)15-7-3/h5-9H2,1-4H3 |
| InChIKey | JWMRPSYVFUZQCJ-UHFFFAOYSA-N |
| Molecular Weight | 218.293 g/mol |
| SMILES | CCOC(=O)CCC(OCC)(C)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.960232 |