| SpectraBase Compound ID | 2LY52YyH3FA |
|---|---|
| InChI | InChI=1S/C11H22O3/c1-3-5-6-7-8-11(12)14-10-9-13-4-2/h3-10H2,1-2H3 |
| InChIKey | BMBBNKSPTCCDPU-UHFFFAOYSA-N |
| Mol Weight | 202.29 g/mol |
| Molecular Formula | C11H22O3 |
| Exact Mass | 202.156895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4PA7w3HnJ7S |
|---|---|
| Name | 2-Ethoxyethyl heptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.156894565 u |
| Formula | C11H22O3 |
| InChI | InChI=1S/C11H22O3/c1-3-5-6-7-8-11(12)14-10-9-13-4-2/h3-10H2,1-2H3 |
| InChIKey | BMBBNKSPTCCDPU-UHFFFAOYSA-N |
| Molecular Weight | 202.294 g/mol |
| SMILES | C(OCCOC(=O)CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917765 |