![(E)-3-[(4-(2-Phenylethynyl)phenyl]prop-2-enoic acid](/api/spectrum/JfLholnLTRf/structure.png?h=300&w=458 "(E)-3-[(4-(2-Phenylethynyl)phenyl]prop-2-enoic acid")
| SpectraBase Compound ID | 7lr2E5oZOas |
|---|---|
| InChI | InChI=1S/C17H12O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13H,(H,18,19)/b13-12+ |
| InChIKey | RKMLTNOMIHKPEO-OUKQBFOZSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C17H12O2 |
| Exact Mass | 248.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfLholnLTRf |
|---|---|
| Name | (E)-3-[(4-(2-Phenylethynyl)phenyl]prop-2-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.083729624 u |
| Formula | C17H12O2 |
| InChI | InChI=1S/C17H12O2/c18-17(19)13-12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-13H,(H,18,19)/b13-12+ |
| InChIKey | RKMLTNOMIHKPEO-OUKQBFOZSA-N |
| Molecular Weight | 248.281 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C=1C=CC(\C=C\C(=O)O)=CC1 |