| SpectraBase Compound ID | DzQGH1b3ZLM |
|---|---|
| InChI | InChI=1S/C18H20O3/c1-3-14(2)18(19)20-13-15-8-7-11-17(12-15)21-16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3 |
| InChIKey | DZCPZXMIJRDUTK-UHFFFAOYSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C18H20O3 |
| Exact Mass | 284.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L8sRc6Q3lAd |
|---|---|
| Name | 3-Phenoxybenzyl 2-methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.141244501 u |
| Formula | C18H20O3 |
| InChI | InChI=1S/C18H20O3/c1-3-14(2)18(19)20-13-15-8-7-11-17(12-15)21-16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3 |
| InChIKey | DZCPZXMIJRDUTK-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)OC1=CC=CC(=C1)COC(C(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828137 |