| SpectraBase Compound ID | FoOuLrIJmKr |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-8(5-6-10(12)14-3)7-9(2)11(13)15-4/h8-9H,5-7H2,1-4H3 |
| InChIKey | TZCQHHKPFVFJGT-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 | CoEbXseGiI4 |
|---|---|
| Name | Dimethyl 2,4-dimethylheptanedioate |
| 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/c1-8(5-6-10(12)14-3)7-9(2)11(13)15-4/h8-9H,5-7H2,1-4H3 |
| InChIKey | TZCQHHKPFVFJGT-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | COC(=O)C(C)CC(CCC(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980547 |