| SpectraBase Compound ID | IvjH8QLzeK5 |
|---|---|
| InChI | InChI=1S/C10H9F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h3-7H,1-2H2 |
| InChIKey | RAJLHYZMTYVILB-UHFFFAOYSA-N |
| Mol Weight | 202.18 g/mol |
| Molecular Formula | C10H9F3O |
| Exact Mass | 202.060549 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HXihFnRzW23 |
|---|---|
| Name | 3-(4-Trifluoromethylphenyl)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.060549398 u |
| Formula | C10H9F3O |
| InChI | InChI=1S/C10H9F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h3-7H,1-2H2 |
| InChIKey | RAJLHYZMTYVILB-UHFFFAOYSA-N |
| Molecular Weight | 202.176 g/mol |
| SMILES | C(CCC=1C=CC(=CC1)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940415 |