| SpectraBase Compound ID | 8xNWE3q6G6J |
|---|---|
| InChI | InChI=1S/C13H8OS/c14-10-12-5-2-1-4-11(12)7-8-13-6-3-9-15-13/h1-6,9-10H |
| InChIKey | APWOEKBUWZDLFU-UHFFFAOYSA-N |
| Mol Weight | 212.27 g/mol |
| Molecular Formula | C13H8OS |
| Exact Mass | 212.029586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9e3z0fkfMG |
|---|---|
| Name | 2-(Thiophen-2-ylethynyl)benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.029586051 u |
| Formula | C13H8OS |
| InChI | InChI=1S/C13H8OS/c14-10-12-5-2-1-4-11(12)7-8-13-6-3-9-15-13/h1-6,9-10H |
| InChIKey | APWOEKBUWZDLFU-UHFFFAOYSA-N |
| Molecular Weight | 212.266 g/mol |
| SMILES | C(C=1C(=CC=CC1)C#CC1=CC=CS1)=O |