| SpectraBase Compound ID | EoyX6PDmxsq |
|---|---|
| InChI | InChI=1S/C11H22O2/c1-6-9(10(12)13-5)11(4,7-2)8-3/h9H,6-8H2,1-5H3 |
| InChIKey | OALRJTPSABEOGA-UHFFFAOYSA-N |
| Mol Weight | 186.29 g/mol |
| Molecular Formula | C11H22O2 |
| Exact Mass | 186.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8PEecmSvF67 |
|---|---|
| Name | Pentanoic acid, 2,3-diethyl-3-methyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.161979946 u |
| Formula | C11H22O2 |
| InChI | InChI=1S/C11H22O2/c1-6-9(10(12)13-5)11(4,7-2)8-3/h9H,6-8H2,1-5H3 |
| InChIKey | OALRJTPSABEOGA-UHFFFAOYSA-N |
| Molecular Weight | 186.295 g/mol |
| SMILES | C(C(C(CC)(CC)C)CC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976637 |