| SpectraBase Compound ID | Cn1JrWpG1zm |
|---|---|
| InChI | InChI=1S/C14H9ClO/c15-13-8-9-14(16)12(10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H |
| InChIKey | YYBUGZZRLWJMLF-UHFFFAOYSA-N |
| Mol Weight | 228.68 g/mol |
| Molecular Formula | C14H9ClO |
| Exact Mass | 228.034193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29OArsiJ6KI |
|---|---|
| Name | 4-Chloranyl-2-(2-phenylethynyl)phenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.034192609 u |
| Formula | C14H9ClO |
| InChI | InChI=1S/C14H9ClO/c15-13-8-9-14(16)12(10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H |
| InChIKey | YYBUGZZRLWJMLF-UHFFFAOYSA-N |
| Molecular Weight | 228.678 g/mol |
| SMILES | C(#CC1=CC=CC=C1)C=1C(=CC=C(C1)Cl)O |