| SpectraBase Compound ID | AdaPM1Yc9bz |
|---|---|
| InChI | InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-12-14-17-15(16)13-6-4-2/h3-14H2,1-2H3 |
| InChIKey | CNLMHVUZVNKYJA-UHFFFAOYSA-N |
| Mol Weight | 242.4 g/mol |
| Molecular Formula | C15H30O2 |
| Exact Mass | 242.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 46sOG1qDAsE |
|---|---|
| Name | Pentanoic acid, decyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.224580204 u |
| Formula | C15H30O2 |
| InChI | InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-12-14-17-15(16)13-6-4-2/h3-14H2,1-2H3 |
| InChIKey | CNLMHVUZVNKYJA-UHFFFAOYSA-N |
| Molecular Weight | 242.403 g/mol |
| SMILES | CCCCC(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802557 |