| SpectraBase Compound ID | 4aZqzo9p7Au |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22-20(21)18-6-4-2/h3-19H2,1-2H3 |
| InChIKey | ZDYLNFIQQYOUMX-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C20H40O2 |
| Exact Mass | 312.302831 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gr6HMxCvyyk |
|---|---|
| Name | Valeric acid, pentadecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.302830526 u |
| Formula | C20H40O2 |
| InChI | InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22-20(21)18-6-4-2/h3-19H2,1-2H3 |
| InChIKey | ZDYLNFIQQYOUMX-UHFFFAOYSA-N |
| Molecular Weight | 312.538 g/mol |
| SMILES | CCCCC(OCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824115 |