| SpectraBase Compound ID | DiLE4MA6u63 |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-15(6-2)13-21-17(19)11-9-7-8-10-16(18)20-12-14(3)4/h14-15H,5-13H2,1-4H3 |
| InChIKey | ZKBUDJWVWAHOBI-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 | L0FzVo9Awm2 |
|---|---|
| Name | Pimelic acid, 2-ethylbutyl isobutyl 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/c1-5-15(6-2)13-21-17(19)11-9-7-8-10-16(18)20-12-14(3)4/h14-15H,5-13H2,1-4H3 |
| InChIKey | ZKBUDJWVWAHOBI-UHFFFAOYSA-N |
| SMILES | C(OCC(CC)CC)(=O)CCCCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902863 |