| SpectraBase Compound ID | 9Cl14wJSMmL |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-3-5-6-7-8-9-12(13)15-11-10-14-4-2/h3-11H2,1-2H3 |
| InChIKey | CPRGXSYLCVNGPM-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KAHi6HJcRuY |
|---|---|
| Name | Octanoic acid, 2-ethoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-3-5-6-7-8-9-12(13)15-11-10-14-4-2/h3-11H2,1-2H3 |
| InChIKey | CPRGXSYLCVNGPM-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | C(CCCCCCC)(=O)OCCOCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97649 |