| SpectraBase Compound ID | 2XKhZQuEKwB |
|---|---|
| InChI | InChI=1S/C18H36O2/c1-4-7-9-10-11-12-13-14-15-17(6-3)20-18(19)16-8-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | DFWMRAFYWIJLNI-UHFFFAOYSA-N |
| Mol Weight | 284.5 g/mol |
| Molecular Formula | C18H36O2 |
| Exact Mass | 284.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GGCVgRyOaLF |
|---|---|
| Name | Valeric acid, 3-tridecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.271530397 u |
| Formula | C18H36O2 |
| InChI | InChI=1S/C18H36O2/c1-4-7-9-10-11-12-13-14-15-17(6-3)20-18(19)16-8-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | DFWMRAFYWIJLNI-UHFFFAOYSA-N |
| SMILES | C(CC(OC(CCCCCCCCCC)CC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957641 |