| SpectraBase Compound ID | 2qbxq5VwK0v |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-14(6-2)12-13-15(7-3)21-17(19)11-9-10-16(18)20-8-4/h14-15H,5-13H2,1-4H3 |
| InChIKey | AYLSQKQHPVUPOF-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JZxlDtn8Yu4 |
|---|---|
| Name | Glutaric acid, ethyl 6-ethyloct-3-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-14(6-2)12-13-15(7-3)21-17(19)11-9-10-16(18)20-8-4/h14-15H,5-13H2,1-4H3 |
| InChIKey | AYLSQKQHPVUPOF-UHFFFAOYSA-N |
| SMILES | CCC(CC)CCC(OC(=O)CCCC(OCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985321 |