![Methyl 4-[2''-styrylethynyl]-phenylacetate](/api/spectrum/GChdd1COp86/structure.png?h=300&w=458 "Methyl 4-[2''-styrylethynyl]-phenylacetate")
| SpectraBase Compound ID | 9OhJDQuAP4b |
|---|---|
| InChI | InChI=1S/C19H16O2/c1-21-19(20)15-18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-14H,15H2,1H3/b9-5+ |
| InChIKey | YLKIPGRXUUACHG-WEVVVXLNSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C19H16O2 |
| Exact Mass | 276.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GChdd1COp86 |
|---|---|
| Name | Methyl 4-[2''-styrylethynyl]-phenylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.115029753 u |
| Formula | C19H16O2 |
| InChI | InChI=1S/C19H16O2/c1-21-19(20)15-18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-5,7-9,11-14H,15H2,1H3/b9-5+ |
| InChIKey | YLKIPGRXUUACHG-WEVVVXLNSA-N |
| SMILES | C(#CC1=CC=C(CC(=O)OC)C=C1)\C=C\C=1C=CC=CC1 |