| SpectraBase Compound ID | Gjywwr5VI43 |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-5-12(3)13(4)19-15(17)11-9-7-8-10-14(16)18-6-2/h12-13H,5-11H2,1-4H3 |
| InChIKey | LUTATOSWQCEUHJ-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FzmRO8cg5YJ |
|---|---|
| Name | Pimelic acid, ethyl 3-methyl-2-pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-5-12(3)13(4)19-15(17)11-9-7-8-10-14(16)18-6-2/h12-13H,5-11H2,1-4H3 |
| InChIKey | LUTATOSWQCEUHJ-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)CC)C)(=O)CCCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958508 |