| SpectraBase Compound ID | 4HVx3AKu6z0 |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-4-14-10(12)5-6-11(13)15-8-7-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | GCXHTVAWZRIFAV-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 | 4iR04ejnZ5u |
|---|---|
| Name | Butanedioic acid, ethyl 3-methylbutyl 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/c1-4-14-10(12)5-6-11(13)15-8-7-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey | GCXHTVAWZRIFAV-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(CCC(=O)OCCC(C)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856515 |