| SpectraBase Compound ID | 3SZCgCeHTGZ |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | XBYIXIAOQPIYHO-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K3Iu9SV31JO |
|---|---|
| Name | Ethyl-5-oxo-5-phenylpentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | XBYIXIAOQPIYHO-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(=O)(CCCC(=O)C1=CC=CC=C1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981054 |