| SpectraBase Compound ID | 9BQM7XQrW71 |
|---|---|
| InChI | InChI=1S/C15H10O2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,16,17) |
| InChIKey | OGZUGPOTBGMCLE-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C15H10O2 |
| Exact Mass | 222.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Uucui2Qgwc |
|---|---|
| Name | 4-(2-Phenylethynyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.068079560 u |
| Formula | C15H10O2 |
| InChI | InChI=1S/C15H10O2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,16,17) |
| InChIKey | OGZUGPOTBGMCLE-UHFFFAOYSA-N |
| Molecular Weight | 222.243 g/mol |
| SMILES | C(#CC=1C=CC=CC1)C=1C=CC(C(=O)O)=CC1 |