| SpectraBase Compound ID | GxGTw3umHiM |
|---|---|
| InChI | InChI=1S/C18H16O3/c1-3-21-18(19)16-10-6-14(7-11-16)4-5-15-8-12-17(20-2)13-9-15/h6-13H,3H2,1-2H3 |
| InChIKey | CUSQIUSZVHSOKJ-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8WI647yrL17 |
|---|---|
| Name | Ethyl 4-((4-methoxyphenyl)ethynyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c1-3-21-18(19)16-10-6-14(7-11-16)4-5-15-8-12-17(20-2)13-9-15/h6-13H,3H2,1-2H3 |
| InChIKey | CUSQIUSZVHSOKJ-UHFFFAOYSA-N |
| SMILES | C(C=1C=CC(=CC1)C#CC=1C=CC(=CC1)OC)(=O)OCC |