| SpectraBase Compound ID | GfjU3fHd7IO |
|---|---|
| InChI | InChI=1S/C14H14O3/c1-2-13-8-12(15)9-14(17-13)16-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3 |
| InChIKey | KMCGLDGMGIIRTG-UHFFFAOYSA-N |
| Mol Weight | 230.26 g/mol |
| Molecular Formula | C14H14O3 |
| Exact Mass | 230.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5OR0lixFP3B |
|---|---|
| Name | 2-(Benzyloxy)-6-ethyl-4H-pyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.094294308 u |
| Formula | C14H14O3 |
| InChI | InChI=1S/C14H14O3/c1-2-13-8-12(15)9-14(17-13)16-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3 |
| InChIKey | KMCGLDGMGIIRTG-UHFFFAOYSA-N |
| Molecular Weight | 230.263 g/mol |
| SMILES | C=1C(C=C(OC1CC)OCC1=CC=CC=C1)=O |