| SpectraBase Compound ID | DFE8jnXuLOV |
|---|---|
| InChI | InChI=1S/C13H26O3/c1-5-11(6-2)8-9-12(7-3)16-13(14)10-15-4/h11-12H,5-10H2,1-4H3 |
| InChIKey | LNKAEGRTHUPGTE-UHFFFAOYSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C13H26O3 |
| Exact Mass | 230.188195 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HpTvgA9mhjO |
|---|---|
| Name | Methoxyacetic acid, 6-ethyl-3-octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.188194694 u |
| Formula | C13H26O3 |
| InChI | InChI=1S/C13H26O3/c1-5-11(6-2)8-9-12(7-3)16-13(14)10-15-4/h11-12H,5-10H2,1-4H3 |
| InChIKey | LNKAEGRTHUPGTE-UHFFFAOYSA-N |
| Molecular Weight | 230.348 g/mol |
| SMILES | COCC(=O)OC(CC)CCC(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806643 |