| SpectraBase Compound ID | ICJdw0zvGFC |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-3-13(15)12(10-14(16)17-4-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10- |
| InChIKey | JGRSCWUOPAICEK-BENRWUELSA-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 | CVPostXgRAD |
|---|---|
| Name | Ethyl (2Z)-4-oxo-3-phenylhex-2-enoate |
| 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/c1-3-13(15)12(10-14(16)17-4-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10- |
| InChIKey | JGRSCWUOPAICEK-BENRWUELSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C(\C=C/(C(CC)=O)C=1C=CC=CC1)(=O)OCC |