| SpectraBase Compound ID | 3aNE6wD5SsU |
|---|---|
| InChI | InChI=1S/C16H14O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-8,13H,2,9H2,1H3 |
| InChIKey | YIYPDYHZPMWNCY-UHFFFAOYSA-N |
| Mol Weight | 270.28 g/mol |
| Molecular Formula | C16H14O4 |
| Exact Mass | 270.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpPVA3mU5AG |
|---|---|
| Name | 3-Ethoxycarbonyl-5,6-benzo-3,4-dihydrocoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.089208927 u |
| Formula | C16H14O4 |
| InChI | InChI=1S/C16H14O4/c1-2-19-15(17)13-9-12-11-6-4-3-5-10(11)7-8-14(12)20-16(13)18/h3-8,13H,2,9H2,1H3 |
| InChIKey | YIYPDYHZPMWNCY-UHFFFAOYSA-N |
| SMILES | C1(C(OC=2C(C1)=C1C(=CC2)C=CC=C1)=O)C(=O)OCC |