| SpectraBase Compound ID | A4aSzDGU5ve |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-11(14)16-10-13(15)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3 |
| InChIKey | ZHOXZVUUXYRMQJ-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9SrhmoGeFp |
|---|---|
| Name | Acetic acid 2-oxo-5-phenylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-11(14)16-10-13(15)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3 |
| InChIKey | ZHOXZVUUXYRMQJ-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C(C)(=O)OCC(CCCC=1C=CC=CC1)=O |