| SpectraBase Compound ID | ElMvJvq2uzI |
|---|---|
| InChI | InChI=1S/C9H9FO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3 |
| InChIKey | AANCPBXTNIZNIJ-UHFFFAOYSA-N |
| Mol Weight | 152.17 g/mol |
| Molecular Formula | C9H9FO |
| Exact Mass | 152.063743 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LXAjeXNSwkq |
|---|---|
| Name | 2-(4-Fluorophenyl)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.063743072 u |
| Formula | C9H9FO |
| InChI | InChI=1S/C9H9FO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-7H,1H3 |
| InChIKey | AANCPBXTNIZNIJ-UHFFFAOYSA-N |
| Molecular Weight | 152.168 g/mol |
| SMILES | CC(C=O)C=1C=CC(F)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941318 |