| SpectraBase Compound ID | 7jFr77LxQ5S |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-2-3-4-5-6-12-17-21-19(20)16-11-10-15-18-13-8-7-9-14-18/h7-9,13-14H,2-6,10-12,15-17H2,1H3 |
| InChIKey | FKKIRYZQILFFFD-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AXkP3ctYN9b |
|---|---|
| Name | 5-Phenylvaleric acid, octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-2-3-4-5-6-12-17-21-19(20)16-11-10-15-18-13-8-7-9-14-18/h7-9,13-14H,2-6,10-12,15-17H2,1H3 |
| InChIKey | FKKIRYZQILFFFD-UHFFFAOYSA-N |
| SMILES | C(CCC(OCCCCCCCC)=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892374 |