| SpectraBase Compound ID | EhFLY6OsAjF |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-2-13-20-16(18)10-6-7-11-17(19)21-14-12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3 |
| InChIKey | VDDMXOGMSWAGHK-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FDtKUXFP9qw |
|---|---|
| Name | Adipic acid, 2-phenylethyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-2-13-20-16(18)10-6-7-11-17(19)21-14-12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3 |
| InChIKey | VDDMXOGMSWAGHK-UHFFFAOYSA-N |
| SMILES | CCCOC(CCCCC(=O)OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941768 |