| SpectraBase Compound ID | 4yZfxshrevJ |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-4-7-9(5-2)15-11(13)8-10(12)14-6-3/h9H,4-8H2,1-3H3 |
| InChIKey | MBSLKFCEANRGKO-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 99tavh3Siu0 |
|---|---|
| Name | Malonic acid, ethyl 3-hexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-4-7-9(5-2)15-11(13)8-10(12)14-6-3/h9H,4-8H2,1-3H3 |
| InChIKey | MBSLKFCEANRGKO-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(OC(CC)CCC)(CC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928697 |