| SpectraBase Compound ID | ejJxqeECFC |
|---|---|
| InChI | InChI=1S/C16H18O3/c1-3-19-16(17)9-7-5-4-6-8-14-10-12-15(18-2)13-11-14/h7,9-13H,3-5H2,1-2H3/b9-7+ |
| InChIKey | WXXDLVXTEHRRQK-VQHVLOKHSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C16H18O3 |
| Exact Mass | 258.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gPabiYMoJ6 |
|---|---|
| Name | Ethyl (2E)-7-(4'-methoxyphenyl)hept-2-en-6-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.125594437 u |
| Formula | C16H18O3 |
| InChI | InChI=1S/C16H18O3/c1-3-19-16(17)9-7-5-4-6-8-14-10-12-15(18-2)13-11-14/h7,9-13H,3-5H2,1-2H3/b9-7+ |
| InChIKey | WXXDLVXTEHRRQK-VQHVLOKHSA-N |
| Molecular Weight | 258.317 g/mol |
| SMILES | C(\C=C\CCC#CC=1C=CC(=CC1)OC)(=O)OCC |