| SpectraBase Compound ID | 4YRa7LySBq7 |
|---|---|
| InChI | InChI=1S/C9H8F2O/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-6H,2-3H2 |
| InChIKey | XEHBLZJNYMOGGJ-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C9H8F2O |
| Exact Mass | 170.054321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gyom9tazvFB |
|---|---|
| Name | 3-(2,6-Difluorophenyl)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.054321203 u |
| Formula | C9H8F2O |
| InChI | InChI=1S/C9H8F2O/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-6H,2-3H2 |
| InChIKey | XEHBLZJNYMOGGJ-UHFFFAOYSA-N |
| Molecular Weight | 170.159 g/mol |
| SMILES | C=1C(F)=C(CCC=O)C(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883922 |