| SpectraBase Compound ID | AOuWfNFauW5 |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-4-15-11(13)6-5-7-12(14)16-9-8-10(2)3/h2,4-9H2,1,3H3 |
| InChIKey | HWRHBZZGCQLVET-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4tgqCpiaavB |
|---|---|
| Name | Glutaric acid, ethyl 3-methylbut-3-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-4-15-11(13)6-5-7-12(14)16-9-8-10(2)3/h2,4-9H2,1,3H3 |
| InChIKey | HWRHBZZGCQLVET-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | CC(=C)CCOC(CCCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980486 |