| SpectraBase Compound ID | 1sDNhGsR18l |
|---|---|
| InChI | InChI=1S/C14H9NO/c16-11-13-6-2-1-5-12(13)8-9-14-7-3-4-10-15-14/h1-7,10-11H |
| InChIKey | CMZZXLKYEXLKEU-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C14H9NO |
| Exact Mass | 207.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BwJXwqfsH5s |
|---|---|
| Name | 2-(2'-Pyridylethynyl)bennzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.068413913 u |
| Formula | C14H9NO |
| InChI | InChI=1S/C14H9NO/c16-11-13-6-2-1-5-12(13)8-9-14-7-3-4-10-15-14/h1-7,10-11H |
| InChIKey | CMZZXLKYEXLKEU-UHFFFAOYSA-N |
| Molecular Weight | 207.232 g/mol |
| SMILES | C(#CC=1N=CC=CC1)C=1C(C=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899082 |