| SpectraBase Compound ID | 3amzeyDGI6M |
|---|---|
| InChI | InChI=1S/C17H14O/c1-13-6-5-7-14(2)17(13)11-10-15-8-3-4-9-16(15)12-18/h3-9,12H,1-2H3 |
| InChIKey | RDNMMWYTKLCTSE-UHFFFAOYSA-N |
| Mol Weight | 234.3 g/mol |
| Molecular Formula | C17H14O |
| Exact Mass | 234.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BI6Vsq8QIv5 |
|---|---|
| Name | 2-[(2,6-Dimethylphenyl)ethynyl]benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.104465070 u |
| Formula | C17H14O |
| InChI | InChI=1S/C17H14O/c1-13-6-5-7-14(2)17(13)11-10-15-8-3-4-9-16(15)12-18/h3-9,12H,1-2H3 |
| InChIKey | RDNMMWYTKLCTSE-UHFFFAOYSA-N |
| Molecular Weight | 234.298 g/mol |
| SMILES | C=1C=C(C(C#CC2=C(C=CC=C2C)C)=CC1)C=O |