| SpectraBase Compound ID | 24cYmdkdget |
|---|---|
| InChI | InChI=1S/C8H4FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,5H |
| InChIKey | AEQJKMYNEQTXMS-UHFFFAOYSA-N |
| Mol Weight | 149.12 g/mol |
| Molecular Formula | C8H4FNO |
| Exact Mass | 149.027692 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8UlyWYoT4sV |
|---|---|
| Name | 2-Cyano-5-fluorobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.027691915 u |
| Formula | C8H4FNO |
| InChI | InChI=1S/C8H4FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,5H |
| InChIKey | AEQJKMYNEQTXMS-UHFFFAOYSA-N |
| Molecular Weight | 149.124 g/mol |
| SMILES | C1(F)=CC(=C(C=C1)C#N)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900826 |