| SpectraBase Compound ID | 86rFvebiEdZ |
|---|---|
| InChI | InChI=1S/C15H28O2/c1-2-3-4-5-8-13-17-15(16)12-11-14-9-6-7-10-14/h14H,2-13H2,1H3 |
| InChIKey | OBXCQEYVYLJGJK-UHFFFAOYSA-N |
| Mol Weight | 240.39 g/mol |
| Molecular Formula | C15H28O2 |
| Exact Mass | 240.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8DPUl4XZteQ |
|---|---|
| Name | 3-Cyclopentylpropionic acid, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.208930140 u |
| Formula | C15H28O2 |
| InChI | InChI=1S/C15H28O2/c1-2-3-4-5-8-13-17-15(16)12-11-14-9-6-7-10-14/h14H,2-13H2,1H3 |
| InChIKey | OBXCQEYVYLJGJK-UHFFFAOYSA-N |
| Molecular Weight | 240.387 g/mol |
| SMILES | C(=O)(OCCCCCCC)CCC1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967881 |