| SpectraBase Compound ID | FqYweXD44LY |
|---|---|
| InChI | InChI=1S/C16H20O3/c1-3-5-9-14(12-15(17)19-4-2)16(18)13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3/b14-12- |
| InChIKey | NAVGXOWDGDTIIX-OWBHPGMISA-N |
| Mol Weight | 260.33 g/mol |
| Molecular Formula | C16H20O3 |
| Exact Mass | 260.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7M7XA1qLnMp |
|---|---|
| Name | Ethyl 3-benzoylhept-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.141244501 u |
| Formula | C16H20O3 |
| InChI | InChI=1S/C16H20O3/c1-3-5-9-14(12-15(17)19-4-2)16(18)13-10-7-6-8-11-13/h6-8,10-12H,3-5,9H2,1-2H3/b14-12- |
| InChIKey | NAVGXOWDGDTIIX-OWBHPGMISA-N |
| Molecular Weight | 260.333 g/mol |
| SMILES | C(\C=C/(C(=O)C1=CC=CC=C1)CCCC)(=O)OCC |