| SpectraBase Compound ID | 90ZRiJZHues |
|---|---|
| InChI | InChI=1S/C19H14O3/c1-3-14-22-19(20)18-7-5-4-6-16(18)11-8-15-9-12-17(21-2)13-10-15/h1,4-7,9-10,12-13H,14H2,2H3 |
| InChIKey | WORKNACVVLDDTR-UHFFFAOYSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C19H14O3 |
| Exact Mass | 290.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3RMUEmJKxN |
|---|---|
| Name | Prop-2-yn-1-yl 2-[(4-methoxyphenyl)ethynyl]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.094294308 u |
| Formula | C19H14O3 |
| InChI | InChI=1S/C19H14O3/c1-3-14-22-19(20)18-7-5-4-6-16(18)11-8-15-9-12-17(21-2)13-10-15/h1,4-7,9-10,12-13H,14H2,2H3 |
| InChIKey | WORKNACVVLDDTR-UHFFFAOYSA-N |
| SMILES | C=1C=C(C(OCC#C)=O)C(=CC1)C#CC1=CC=C(C=C1)OC |