| SpectraBase Compound ID | 6BzTQqr7Kch |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-2-16-14(15)12-9-6-10-17-13(12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | AEOPBSCQWAZBTF-UHFFFAOYSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L89wADGgDk |
|---|---|
| Name | 3,4-Dihydro-6-phenyl-2H-pyran-5-carboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-2-16-14(15)12-9-6-10-17-13(12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey | AEOPBSCQWAZBTF-UHFFFAOYSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C1(=C(OCCC1)C=1C=CC=CC1)C(=O)OCC |