| SpectraBase Compound ID | 28o22JWatgs |
|---|---|
| InChI | InChI=1S/C19H16O5/c1-2-22-18(20)16-10-14-8-9-15(11-17(14)24-19(16)21)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3 |
| InChIKey | WQSSRBWZKQNHOE-UHFFFAOYSA-N |
| Mol Weight | 324.33 g/mol |
| Molecular Formula | C19H16O5 |
| Exact Mass | 324.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTXswKfVS9T |
|---|---|
| Name | Ethyl 7-(benzyloxy)-2-oxochromene-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.099773610 u |
| Formula | C19H16O5 |
| InChI | InChI=1S/C19H16O5/c1-2-22-18(20)16-10-14-8-9-15(11-17(14)24-19(16)21)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3 |
| InChIKey | WQSSRBWZKQNHOE-UHFFFAOYSA-N |
| Molecular Weight | 324.332 g/mol |
| SMILES | C1=C(C=C2C(=C1)C=C(C(=O)OCC)C(O2)=O)OCC1=CC=CC=C1 |